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Action: REWEIGHT_TEMP_PRESS

Module bias
Description Usage
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. used in 0 tutorialsused in 1 eggs
output value type
the weight to use for this frame to determine its contribution at a different temperature/pressure scalar

Details and examples

Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation.

We can use our knowledge of the probability distribution in the canonical (NT) or the isothermal-isobaric ensemble (NPT) to reweight the data contained in trajectories and obtain ensemble averages at different temperatures and/or pressures.

Consider the ensemble average of an observable that depends on the atomic coordinates and the volume . This observable is in practice any collective variable (CV) calculated by PLUMED. The ensemble average of the observable in an ensemble can be calculated from a simulation performed in an ensemble using:

where and are mean values in the simulated and targeted ensemble, respectively, is the potential energy of the system, and are the appropriate weights to take from to . This action calculates the weights and handles 4 different cases:

  1. Change of temperature from T to T' at constant volume. That is to say, from a simulation performed in the NT (canonical) ensemble, obtain an ensemble average in the NT' ensemble. The weights in this case are with and the inverse temperatures.
  2. Change of temperature from T to T' at constant pressure. That is to say, from a simulation performed in the NPT (isothermal-isobaric) ensemble, obtain an ensemble average in the NPT' ensemble. The weights in this case are .
  3. Change of pressure from P to P' at constant temperature. That is to say, from a simulation performed in the NPT (isothermal-isobaric) ensemble, obtain an ensemble average in the NP'T ensemble. The weights in this case are .
  4. Change of temperature and pressure from T,P to T',P'. That is to say, from a simulation performed in the NPT (isothermal-isobaric) ensemble, obtain an ensemble average in the NP'T' ensemble. The weights in this case are .

These weights can be used in any action that computes ensemble averages. For example this action can be used in tandem with HISTOGRAM or AVERAGE.

The above equation is often impractical since the overlap between the distributions of energy and volume at different temperatures and pressures is only significant for neighboring temperatures and pressures. For this reason an unbiased simulation is of little use to reweight at different temperatures and/or pressures. A successful approach that is discussed in the first paper cited below is altering the probability of observing a configuration in order to increase this overlap. This is done through a bias potential where is a set of CVs, that often is the energy (and possibly the volume). In order to calculate ensemble averages, also the effect of this bias must be taken into account. The ensemble average of the observable in the ensemble can be calculated from a biased simulation performed in the ensemble with bias using:

where is a mean value in the biased ensemble with static bias . Therefore in order to reweight the trajectory at different temperatures and/or pressures one must use the weights calculated by this action together with the weights of REWEIGHT_BIAS (see the examples below).

The bias potential can be constructed with METAD using ENERGY as a CV as discussed in the second paper cited below. The remaining papers cited below discuss more specialized tools that available, that, for instance, use bespoke target distributions such as TD_MULTICANONICAL and TD_MULTITHERMAL_MULTIBARIC that are implemented within the VES. In the latter algorithms the interval of temperatures and pressures in which the trajectory can be reweighted is chosen explicitly.

Examples

We consider the 4 cases described above in the following examples

The following input can be used to postprocess a molecular dynamics trajectory of a system of 1000 particles run at 500 K and constant volume using a static bias potential.

Click on the labels of the actions for more information on what each action computes
tested on2.11
#SETTINGS INPUTFILES=regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

energy: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
 10156.000000 -13149.398279 7.383291 59.437863 4771.692348
 10157.000000 -12896.065027 7.562165 39.282534 1681.918708
 10158.000000 -12918.656578 7.354957 29.590704 6951.081616
 10159.000000 -12687.567792 7.355229 -6.079518 7582.762271
 10160.000000 -13137.020101 7.087175 25.871368 24184.200160
 10161.000000 -12873.061890 7.202651 7.122837 15922.370966
 10162.000000 -12956.608132 6.939455 -22.680969 33681.606327
 10163.000000 -12758.371142 7.234952 -6.808527 13885.255604
 10164.000000 -12929.083882 6.982959 -18.758363 31894.022114
 10165.000000 -13170.982647 6.948516 5.286933 36088.641017
 10166.000000 -13406.772855 6.722165 -25.716652 62003.910356
 10167.000000 -13738.047755 6.814587 0.502234 49140.201719
 10168.000000 -13562.653332 6.831481 4.339170 44988.125641
 10169.000000 -13601.931827 6.849567 8.715973 43803.789178
 10170.000000 -13532.556433 7.093574 52.143170 21750.142788
 10171.000000 -13734.183139 6.976466 33.236323 32425.883362
 10172.000000 -13536.383119 7.022301 40.826720 29459.733340
 10173.000000 -13443.047902 6.877902 10.363877 41710.415268
 10174.000000 -13326.683412 6.904326 9.508642 40089.684968
 10175.000000 -13856.620901 6.900398 14.615565 41537.528102
 10176.000000 -14056.666791 6.832561 -16.367970 55357.808789
 10177.000000 -13855.420183 6.974558 28.872491 31950.204854
 10178.000000 -13874.915368 7.199864 59.320857 10871.772804
 10179.000000 -13949.646585 7.329249 65.769583 5605.931399
 10180.000000 -13728.886202 7.426086 82.954428 2912.731953
 10181.000000 -13633.184664 7.476783 86.776504 1954.012504
 10182.000000 -13198.680328 7.463627 68.789682 2645.410527
 10183.000000 -13114.509881 7.961093 64.614648 114.211383
 10184.000000 -13177.498893 7.531605 70.031543 1416.520081
 10185.000000 -12948.705050 7.366421 34.850115 6411.844678
 10186.000000 -13347.369080 7.431606 77.319835 3030.689026
 10187.000000 -13500.175465 7.485403 85.846305 1866.609266
 10188.000000 -13375.847624 7.760924 85.374864 151.364212
 10189.000000 -13121.288892 7.728081 68.223554 17.236782
 10190.000000 -12939.673593 7.361617 33.254772 6641.345622
 10191.000000 -12749.246594 7.152193 -18.905468 20307.145893
 10192.000000 -12870.232934 7.278893 15.622076 10847.114638
 10193.000000 -12954.371744 7.214890 20.619290 14575.308160
 10194.000000 -12928.971039 7.251178 21.236301 12234.200383
 10195.000000 -12813.690092 6.989265 -35.066809 31149.450018
 10196.000000 -12844.746217 7.141827 -5.297179 21071.386992
 10197.000000 -12783.452076 7.475215 18.452819 3838.991283
 10198.000000 -13074.812743 7.410944 53.757118 4360.968188
 10199.000000 -13342.908584 7.347242 71.750387 5182.119419
 10200.000000 -13704.162047 7.188351 64.535673 12176.131796
 10201.000000 -13569.547860 7.569232 89.823598 639.990619
 10202.000000 -13507.966315 7.503660 86.772517 1558.207622
 10203.000000 -13340.189096 7.538321 81.716265 1118.897718
 10204.000000 -12972.355297 7.532210 48.387440 1991.220258
 10205.000000 -12817.652601 7.497514 25.088194 3245.937152
 10206.000000 -13055.148129 7.702248 61.879921 6.460258
 10207.000000 -12853.551659 7.721143 37.396465 18.713272
 10208.000000 -12768.458433 7.810498 24.762841 110.110442
 10209.000000 -12592.898592 7.803828 -2.415112 0.025334
 10210.000000 -12985.382877 7.679108 54.054253 99.060623
 10211.000000 -13248.044774 7.591796 77.471812 500.079903
 10212.000000 -13151.343295 7.713124 71.026911 5.179698
 10213.000000 -12921.717296 7.432265 36.171572 4503.144315
 10214.000000 -12688.047162 7.519145 5.925802 2928.912863
 10215.000000 -12880.333488 7.448988 31.457024 4227.614006
 10216.000000 -13145.579184 7.177397 39.613674 15858.782313
 10217.000000 -12856.432990 7.254132 11.026267 12469.575109
 10218.000000 -12785.076539 6.970529 -42.793457 31635.210951
 10219.000000 -12972.831620 7.014685 -6.690150 30485.494374
 10220.000000 -12842.986515 7.136224 -6.267060 21609.468625
 10221.000000 -12754.421506 7.497470 15.434212 3368.543394
 10222.000000 -12579.149161 7.475428 -14.629582 4033.797042
 10223.000000 -12644.149227 7.747587 5.704184 37.985072
 10224.000000 -12623.312187 7.397831 -12.717112 6232.486184
 10225.000000 -12928.289513 7.010939 -13.710983 30602.742854
 10226.000000 -13030.889624 7.025197 3.041014 29888.137877
 10227.000000 -13112.101895 7.018795 11.901495 30506.096204
 10228.000000 -13121.478943 6.837522 -21.578756 41446.773624
 10229.000000 -13105.495484 6.951017 -1.156833 35169.328733
 10230.000000 -13091.284466 6.936761 -5.483338 35750.760542
 10231.000000 -13042.214731 7.016615 3.035963 30528.904914
 10232.000000 -13005.824854 7.213049 27.556480 14383.074301
 10233.000000 -13155.989073 7.145807 36.598086 18556.123558
 10234.000000 -13131.660332 7.013253 13.144097 31008.901991
 10235.000000 -12917.624416 7.203300 14.182416 15800.295414
 10236.000000 -12779.541092 7.313835 5.480359 9360.543856
 10237.000000 -12731.113394 7.860340 18.776497 201.100400
 10238.000000 -12719.656801 7.544530 12.567133 2385.127266
 10239.000000 -13256.113116 7.078202 35.924218 24651.855645
 10240.000000 -12774.655995 7.537384 20.931767 2471.527941
 10241.000000 -13397.395809 7.792382 85.886298 227.954795
 10242.000000 -13169.164378 7.629657 72.170717 227.624317
 10243.000000 -12804.635168 7.986747 27.537570 144.426889
 10244.000000 -13021.473492 7.335488 42.096267 7269.539182
 10245.000000 -13134.453091 7.201756 41.525510 14061.554046
 10246.000000 -13279.649717 7.225401 57.071908 11247.947552
 10247.000000 -13185.606988 7.717211 73.985124 16.346690
 10248.000000 -13433.308260 7.518574 85.245517 1355.385350
 10249.000000 -13686.036731 7.354525 79.298831 4616.457582
 10250.000000 -13475.696590 7.492498 85.543595 1755.016059
 10251.000000 -13357.193197 7.301181 69.054437 6839.073415
 10252.000000 -13485.463151 7.310757 74.960978 6164.369961
 10253.000000 -13575.027708 7.130976 57.944519 17637.412154
 10254.000000 -13624.070300 7.040403 44.864737 26542.056513
 10255.000000 -13936.322125 7.183724 53.274367 11600.120446
 10256.000000 -13950.819236 7.167838 50.428229 12547.533107
 10257.000000 -13848.583957 7.104289 49.234665 17691.549759
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 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=energy IGNORE_TIME ignore the time in the colvar file
distance: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
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 10749.000000 -12587.838086 7.013102 -67.244575 30150.695335
 10750.000000 -12832.456665 7.153152 -4.955370 20856.551063
 10751.000000 -12704.901455 7.204338 -18.145614 16933.523209
 10752.000000 -12865.522148 7.191064 5.325565 17637.661228
 10753.000000 -12948.517447 7.164842 13.836500 19173.969203
 10754.000000 -13087.570013 7.383736 53.930351 5493.043668
 10755.000000 -12875.570943 7.466853 33.187612 4089.751882
 10756.000000 -12818.997477 7.868495 33.252256 283.187961
 10757.000000 -12978.593905 7.583092 52.503904 1193.098874
 10758.000000 -12866.289179 7.608024 38.787604 1084.129432
 10759.000000 -12940.470872 7.314835 30.174705 9159.104957
 10760.000000 -12881.323567 7.059079 -12.272112 28025.089358
 10761.000000 -12985.969424 7.717484 55.772440 3.227259
 10762.000000 -13180.374237 7.449791 67.078396 3285.152149
 10763.000000 -12959.037283 7.620612 51.276017 687.016879
 10764.000000 -12962.225220 7.672395 52.680755 174.932333
 10765.000000 -12807.280864 7.919344 30.766137 297.440001
 10766.000000 -13161.767096 7.590726 71.431556 667.686806
 10767.000000 -12808.272964 7.648119 31.656966 621.884857
 10768.000000 -13173.892531 7.390818 62.763378 4863.664266
 10769.000000 -12757.366465 7.684126 24.793337 307.816750
 10770.000000 -12528.758361 7.701987 -11.504540 493.012915
 10771.000000 -12794.398880 7.286194 5.791529 11386.566232
 10772.000000 -13066.262795 7.417560 54.005170 4596.062576
 10773.000000 -13204.031696 7.262794 54.648940 9804.935666
 10774.000000 -13205.054717 7.315051 59.547159 7318.797599
 10775.000000 -13213.866815 7.137906 40.791772 18975.553791
 10776.000000 -13431.241648 6.987895 30.806807 32661.651499
 10777.000000 -13436.902734 7.016313 36.069701 29955.273214
 10778.000000 -13169.239392 7.274653 52.698505 9437.969995
 10779.000000 -12747.760513 7.728776 23.897700 54.595742
 10780.000000 -12568.702254 7.418956 -18.920807 6132.419393
 10781.000000 -12780.225641 7.326975 7.716131 9304.905922
 10782.000000 -13033.531695 7.428948 51.092735 4439.807622
 10783.000000 -12953.790816 6.807038 -47.762615 38082.804820
 10784.000000 -13394.215525 6.877006 7.737773 40663.262232
 10785.000000 -12976.827588 7.020371 -5.096311 30400.699119
 10786.000000 -12990.566498 7.020146 -3.247065 30420.012157
 10787.000000 -13163.070339 6.886316 -7.624109 39034.583708
 10788.000000 -12896.672860 7.162603 5.994829 19807.803494
 10789.000000 -13017.865485 7.162070 22.712735 18777.065123
 10790.000000 -13159.013418 7.200779 43.729409 14211.197617
 10791.000000 -13280.000834 7.047867 32.425817 27493.453929
 10792.000000 -13074.847758 6.835426 -27.182664 39895.571911
 10793.000000 -12962.270711 6.959603 -18.000979 33199.155312
 10794.000000 -12997.576302 7.319553 38.079858 8580.952850
 10795.000000 -13025.477962 7.296491 39.345372 9490.199836
 10796.000000 -12716.717507 7.443693 7.423987 5125.898817
 10797.000000 -13081.389785 7.385930 53.376711 5492.945287
 10798.000000 -13358.019040 7.000087 29.292803 31872.626601
 10799.000000 -13349.889283 7.171614 54.884878 15120.208000
 10800.000000 -13294.211280 7.042055 32.470142 28022.982732
 10801.000000 -13086.140326 7.576302 64.073406 1027.754593
 10802.000000 -12976.622074 7.794746 54.331209 138.966765
 10803.000000 -13113.674241 7.602920 67.475154 602.224454
 10804.000000 -13061.900557 7.510606 58.935278 2328.021737
 10805.000000 -12777.838002 7.132525 -16.593730 22707.579806
 10806.000000 -12741.172088 7.108903 -26.054916 24542.591357
 10807.000000 -12878.678358 6.941326 -33.467364 32863.573478
 10808.000000 -13000.541230 7.065742 5.829649 27140.607050
 10809.000000 -12656.432157 7.077064 -44.928754 26626.155786
 10810.000000 -12781.688892 6.817978 -70.697671 33813.257481
 10811.000000 -12661.519454 6.961139 -64.109594 32171.104524
 10812.000000 -12976.978403 6.969601 -14.147088 32978.271012
 10813.000000 -12764.889706 7.383923 10.460164 6991.037549
 10814.000000 -12895.194740 7.218932 13.241482 15395.290305
 10815.000000 -13048.367062 6.950797 -8.188668 34456.798073
 10816.000000 -13034.858298 7.149754 23.161263 19661.187145
 10817.000000 -12862.829794 7.443892 29.858589 4792.399590
 10818.000000 -12828.687067 7.382540 20.164203 6876.506235
 10819.000000 -12812.680816 7.205255 -0.914206 16832.099688
 10820.000000 -12740.374996 6.943900 -54.430899 32300.003156
 10821.000000 -12539.775379 7.709812 -9.457953 408.243134
 10822.000000 -12731.139986 7.500380 13.503481 3609.094013
 10823.000000 -12980.927440 7.342061 38.011996 7715.113018
 10824.000000 -13264.522042 7.248429 57.922953 10230.113773
 10825.000000 -13322.484860 7.453279 77.164926 2885.784436
 10826.000000 -13354.960565 7.685160 85.135328 0.021750
 10827.000000 -13330.679274 7.770750 83.308671 177.557651
 10828.000000 -13357.844213 7.859901 83.263943 217.207847
 10829.000000 -13282.750694 7.885425 78.999605 177.600603
 10830.000000 -13361.449953 7.741935 85.120768 103.050756
 10831.000000 -13497.759271 7.951254 86.949740 97.003982
 10832.000000 -13781.411958 7.788226 88.245297 149.865093
 10833.000000 -13638.321465 7.735921 91.109262 54.187365
 10834.000000 -14085.544103 7.981145 64.843500 269.048276
 10835.000000 -14072.643889 7.879372 68.002806 342.685759
 10836.000000 -14034.176359 7.995874 69.391951 255.274683
 10837.000000 -14137.997970 7.960360 59.821328 263.019191
 10838.000000 -14184.083376 8.031649 53.897120 78.519852
 10839.000000 -14081.595232 7.888017 66.967604 346.601807
 10840.000000 -13897.759967 7.906470 81.185102 370.526762
 10841.000000 -13935.684550 7.841113 80.059176 307.923114
 10842.000000 -14271.093972 7.597914 41.988821 524.269487
 10843.000000 -13885.960511 7.919110 81.625001 358.542534
 10844.000000 -13816.414543 7.657220 87.391527 91.991341
 10845.000000 -13866.373757 7.840679 84.102981 284.188272
 10846.000000 -13561.513728 7.927993 88.263971 136.347691
 10847.000000 -13615.894407 7.730055 91.182123 45.932667
 10848.000000 -13852.864504 7.861842 84.399861 311.406166
 10849.000000 -13640.113160 7.795611 90.474639 180.998457
 10850.000000 -13818.597550 8.050994 82.611127 376.610444
 10851.000000 -13632.037884 7.816795 90.195110 210.501837
 10852.000000 -13689.486510 7.680414 90.856651 8.457744
 10853.000000 -13668.644690 7.889538 88.955750 213.537505
 10854.000000 -13869.612173 7.782242 84.820825 133.158226
 10855.000000 -13772.096009 7.913184 86.640471 264.817216
 10856.000000 -14067.033548 7.872360 68.756635 339.808004
 10857.000000 -13965.281139 7.744983 79.224982 27.674910
 10858.000000 -14067.563698 7.927837 67.637662 388.269050
 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=distance IGNORE_TIME ignore the time in the colvar file
mybias: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
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 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=mybias.bias IGNORE_TIME ignore the time in the colvar file

# Shift energy (to avoid numerical issues) renergy: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=energy PARAMETERS the parameters of the arguments in your function=-13250 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO # Weights bias_weights: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=500 ARG the biases that must be taken into account when reweighting=mybias.bias temp_press_weights: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=500 REWEIGHT_TEMPReweighting temperature=300 ENERGYEnergy=renergy # Ensemble average of the distance at 300 K avg_dist: AVERAGECalculate the ensemble average of a collective variable This action is a shortcut and it has hidden defaults. More details ARGthe quantity that is being averaged=distance LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias_weights,temp_press_weights
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=avg_dist FILEthe name of the file on which to output these quantities=COLVAR_REWEIGHT STRIDE the frequency with which the quantities of interest should be output=1

Clearly, in performing the analysis above we read from the potential energy, a distance, and the value of the bias potential from a COLVAR file. Having done the reweighting we can then calculate the ensemble average of the distance at 300 K.

The next three inputs can be used to postprocess a molecular dynamics trajectory of a system of 1000 particles run at 500 K and 1 bar using a static bias potential.

We read from a file COLVAR the potential energy, the volume, and the value of the bias potential and calculate the ensemble average of the (particle) density at 300 K and 1 bar (the simulation temperature was 500 K).

Click on the labels of the actions for more information on what each action computes
tested on2.11
#SETTINGS INPUTFILES=regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

energy: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
 10156.000000 -13149.398279 7.383291 59.437863 4771.692348
 10157.000000 -12896.065027 7.562165 39.282534 1681.918708
 10158.000000 -12918.656578 7.354957 29.590704 6951.081616
 10159.000000 -12687.567792 7.355229 -6.079518 7582.762271
 10160.000000 -13137.020101 7.087175 25.871368 24184.200160
 10161.000000 -12873.061890 7.202651 7.122837 15922.370966
 10162.000000 -12956.608132 6.939455 -22.680969 33681.606327
 10163.000000 -12758.371142 7.234952 -6.808527 13885.255604
 10164.000000 -12929.083882 6.982959 -18.758363 31894.022114
 10165.000000 -13170.982647 6.948516 5.286933 36088.641017
 10166.000000 -13406.772855 6.722165 -25.716652 62003.910356
 10167.000000 -13738.047755 6.814587 0.502234 49140.201719
 10168.000000 -13562.653332 6.831481 4.339170 44988.125641
 10169.000000 -13601.931827 6.849567 8.715973 43803.789178
 10170.000000 -13532.556433 7.093574 52.143170 21750.142788
 10171.000000 -13734.183139 6.976466 33.236323 32425.883362
 10172.000000 -13536.383119 7.022301 40.826720 29459.733340
 10173.000000 -13443.047902 6.877902 10.363877 41710.415268
 10174.000000 -13326.683412 6.904326 9.508642 40089.684968
 10175.000000 -13856.620901 6.900398 14.615565 41537.528102
 10176.000000 -14056.666791 6.832561 -16.367970 55357.808789
 10177.000000 -13855.420183 6.974558 28.872491 31950.204854
 10178.000000 -13874.915368 7.199864 59.320857 10871.772804
 10179.000000 -13949.646585 7.329249 65.769583 5605.931399
 10180.000000 -13728.886202 7.426086 82.954428 2912.731953
 10181.000000 -13633.184664 7.476783 86.776504 1954.012504
 10182.000000 -13198.680328 7.463627 68.789682 2645.410527
 10183.000000 -13114.509881 7.961093 64.614648 114.211383
 10184.000000 -13177.498893 7.531605 70.031543 1416.520081
 10185.000000 -12948.705050 7.366421 34.850115 6411.844678
 10186.000000 -13347.369080 7.431606 77.319835 3030.689026
 10187.000000 -13500.175465 7.485403 85.846305 1866.609266
 10188.000000 -13375.847624 7.760924 85.374864 151.364212
 10189.000000 -13121.288892 7.728081 68.223554 17.236782
 10190.000000 -12939.673593 7.361617 33.254772 6641.345622
 10191.000000 -12749.246594 7.152193 -18.905468 20307.145893
 10192.000000 -12870.232934 7.278893 15.622076 10847.114638
 10193.000000 -12954.371744 7.214890 20.619290 14575.308160
 10194.000000 -12928.971039 7.251178 21.236301 12234.200383
 10195.000000 -12813.690092 6.989265 -35.066809 31149.450018
 10196.000000 -12844.746217 7.141827 -5.297179 21071.386992
 10197.000000 -12783.452076 7.475215 18.452819 3838.991283
 10198.000000 -13074.812743 7.410944 53.757118 4360.968188
 10199.000000 -13342.908584 7.347242 71.750387 5182.119419
 10200.000000 -13704.162047 7.188351 64.535673 12176.131796
 10201.000000 -13569.547860 7.569232 89.823598 639.990619
 10202.000000 -13507.966315 7.503660 86.772517 1558.207622
 10203.000000 -13340.189096 7.538321 81.716265 1118.897718
 10204.000000 -12972.355297 7.532210 48.387440 1991.220258
 10205.000000 -12817.652601 7.497514 25.088194 3245.937152
 10206.000000 -13055.148129 7.702248 61.879921 6.460258
 10207.000000 -12853.551659 7.721143 37.396465 18.713272
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 10808.000000 -13000.541230 7.065742 5.829649 27140.607050
 10809.000000 -12656.432157 7.077064 -44.928754 26626.155786
 10810.000000 -12781.688892 6.817978 -70.697671 33813.257481
 10811.000000 -12661.519454 6.961139 -64.109594 32171.104524
 10812.000000 -12976.978403 6.969601 -14.147088 32978.271012
 10813.000000 -12764.889706 7.383923 10.460164 6991.037549
 10814.000000 -12895.194740 7.218932 13.241482 15395.290305
 10815.000000 -13048.367062 6.950797 -8.188668 34456.798073
 10816.000000 -13034.858298 7.149754 23.161263 19661.187145
 10817.000000 -12862.829794 7.443892 29.858589 4792.399590
 10818.000000 -12828.687067 7.382540 20.164203 6876.506235
 10819.000000 -12812.680816 7.205255 -0.914206 16832.099688
 10820.000000 -12740.374996 6.943900 -54.430899 32300.003156
 10821.000000 -12539.775379 7.709812 -9.457953 408.243134
 10822.000000 -12731.139986 7.500380 13.503481 3609.094013
 10823.000000 -12980.927440 7.342061 38.011996 7715.113018
 10824.000000 -13264.522042 7.248429 57.922953 10230.113773
 10825.000000 -13322.484860 7.453279 77.164926 2885.784436
 10826.000000 -13354.960565 7.685160 85.135328 0.021750
 10827.000000 -13330.679274 7.770750 83.308671 177.557651
 10828.000000 -13357.844213 7.859901 83.263943 217.207847
 10829.000000 -13282.750694 7.885425 78.999605 177.600603
 10830.000000 -13361.449953 7.741935 85.120768 103.050756
 10831.000000 -13497.759271 7.951254 86.949740 97.003982
 10832.000000 -13781.411958 7.788226 88.245297 149.865093
 10833.000000 -13638.321465 7.735921 91.109262 54.187365
 10834.000000 -14085.544103 7.981145 64.843500 269.048276
 10835.000000 -14072.643889 7.879372 68.002806 342.685759
 10836.000000 -14034.176359 7.995874 69.391951 255.274683
 10837.000000 -14137.997970 7.960360 59.821328 263.019191
 10838.000000 -14184.083376 8.031649 53.897120 78.519852
 10839.000000 -14081.595232 7.888017 66.967604 346.601807
 10840.000000 -13897.759967 7.906470 81.185102 370.526762
 10841.000000 -13935.684550 7.841113 80.059176 307.923114
 10842.000000 -14271.093972 7.597914 41.988821 524.269487
 10843.000000 -13885.960511 7.919110 81.625001 358.542534
 10844.000000 -13816.414543 7.657220 87.391527 91.991341
 10845.000000 -13866.373757 7.840679 84.102981 284.188272
 10846.000000 -13561.513728 7.927993 88.263971 136.347691
 10847.000000 -13615.894407 7.730055 91.182123 45.932667
 10848.000000 -13852.864504 7.861842 84.399861 311.406166
 10849.000000 -13640.113160 7.795611 90.474639 180.998457
 10850.000000 -13818.597550 8.050994 82.611127 376.610444
 10851.000000 -13632.037884 7.816795 90.195110 210.501837
 10852.000000 -13689.486510 7.680414 90.856651 8.457744
 10853.000000 -13668.644690 7.889538 88.955750 213.537505
 10854.000000 -13869.612173 7.782242 84.820825 133.158226
 10855.000000 -13772.096009 7.913184 86.640471 264.817216
 10856.000000 -14067.033548 7.872360 68.756635 339.808004
 10857.000000 -13965.281139 7.744983 79.224982 27.674910
 10858.000000 -14067.563698 7.927837 67.637662 388.269050
 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=energy IGNORE_TIME ignore the time in the colvar file
volume: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
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 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=volume IGNORE_TIME ignore the time in the colvar file
mybias: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
 10156.000000 -13149.398279 7.383291 59.437863 4771.692348
 10157.000000 -12896.065027 7.562165 39.282534 1681.918708
 10158.000000 -12918.656578 7.354957 29.590704 6951.081616
 10159.000000 -12687.567792 7.355229 -6.079518 7582.762271
 10160.000000 -13137.020101 7.087175 25.871368 24184.200160
 10161.000000 -12873.061890 7.202651 7.122837 15922.370966
 10162.000000 -12956.608132 6.939455 -22.680969 33681.606327
 10163.000000 -12758.371142 7.234952 -6.808527 13885.255604
 10164.000000 -12929.083882 6.982959 -18.758363 31894.022114
 10165.000000 -13170.982647 6.948516 5.286933 36088.641017
 10166.000000 -13406.772855 6.722165 -25.716652 62003.910356
 10167.000000 -13738.047755 6.814587 0.502234 49140.201719
 10168.000000 -13562.653332 6.831481 4.339170 44988.125641
 10169.000000 -13601.931827 6.849567 8.715973 43803.789178
 10170.000000 -13532.556433 7.093574 52.143170 21750.142788
 10171.000000 -13734.183139 6.976466 33.236323 32425.883362
 10172.000000 -13536.383119 7.022301 40.826720 29459.733340
 10173.000000 -13443.047902 6.877902 10.363877 41710.415268
 10174.000000 -13326.683412 6.904326 9.508642 40089.684968
 10175.000000 -13856.620901 6.900398 14.615565 41537.528102
 10176.000000 -14056.666791 6.832561 -16.367970 55357.808789
 10177.000000 -13855.420183 6.974558 28.872491 31950.204854
 10178.000000 -13874.915368 7.199864 59.320857 10871.772804
 10179.000000 -13949.646585 7.329249 65.769583 5605.931399
 10180.000000 -13728.886202 7.426086 82.954428 2912.731953
 10181.000000 -13633.184664 7.476783 86.776504 1954.012504
 10182.000000 -13198.680328 7.463627 68.789682 2645.410527
 10183.000000 -13114.509881 7.961093 64.614648 114.211383
 10184.000000 -13177.498893 7.531605 70.031543 1416.520081
 10185.000000 -12948.705050 7.366421 34.850115 6411.844678
 10186.000000 -13347.369080 7.431606 77.319835 3030.689026
 10187.000000 -13500.175465 7.485403 85.846305 1866.609266
 10188.000000 -13375.847624 7.760924 85.374864 151.364212
 10189.000000 -13121.288892 7.728081 68.223554 17.236782
 10190.000000 -12939.673593 7.361617 33.254772 6641.345622
 10191.000000 -12749.246594 7.152193 -18.905468 20307.145893
 10192.000000 -12870.232934 7.278893 15.622076 10847.114638
 10193.000000 -12954.371744 7.214890 20.619290 14575.308160
 10194.000000 -12928.971039 7.251178 21.236301 12234.200383
 10195.000000 -12813.690092 6.989265 -35.066809 31149.450018
 10196.000000 -12844.746217 7.141827 -5.297179 21071.386992
 10197.000000 -12783.452076 7.475215 18.452819 3838.991283
 10198.000000 -13074.812743 7.410944 53.757118 4360.968188
 10199.000000 -13342.908584 7.347242 71.750387 5182.119419
 10200.000000 -13704.162047 7.188351 64.535673 12176.131796
 10201.000000 -13569.547860 7.569232 89.823598 639.990619
 10202.000000 -13507.966315 7.503660 86.772517 1558.207622
 10203.000000 -13340.189096 7.538321 81.716265 1118.897718
 10204.000000 -12972.355297 7.532210 48.387440 1991.220258
 10205.000000 -12817.652601 7.497514 25.088194 3245.937152
 10206.000000 -13055.148129 7.702248 61.879921 6.460258
 10207.000000 -12853.551659 7.721143 37.396465 18.713272
 10208.000000 -12768.458433 7.810498 24.762841 110.110442
 10209.000000 -12592.898592 7.803828 -2.415112 0.025334
 10210.000000 -12985.382877 7.679108 54.054253 99.060623
 10211.000000 -13248.044774 7.591796 77.471812 500.079903
 10212.000000 -13151.343295 7.713124 71.026911 5.179698
 10213.000000 -12921.717296 7.432265 36.171572 4503.144315
 10214.000000 -12688.047162 7.519145 5.925802 2928.912863
 10215.000000 -12880.333488 7.448988 31.457024 4227.614006
 10216.000000 -13145.579184 7.177397 39.613674 15858.782313
 10217.000000 -12856.432990 7.254132 11.026267 12469.575109
 10218.000000 -12785.076539 6.970529 -42.793457 31635.210951
 10219.000000 -12972.831620 7.014685 -6.690150 30485.494374
 10220.000000 -12842.986515 7.136224 -6.267060 21609.468625
 10221.000000 -12754.421506 7.497470 15.434212 3368.543394
 10222.000000 -12579.149161 7.475428 -14.629582 4033.797042
 10223.000000 -12644.149227 7.747587 5.704184 37.985072
 10224.000000 -12623.312187 7.397831 -12.717112 6232.486184
 10225.000000 -12928.289513 7.010939 -13.710983 30602.742854
 10226.000000 -13030.889624 7.025197 3.041014 29888.137877
 10227.000000 -13112.101895 7.018795 11.901495 30506.096204
 10228.000000 -13121.478943 6.837522 -21.578756 41446.773624
 10229.000000 -13105.495484 6.951017 -1.156833 35169.328733
 10230.000000 -13091.284466 6.936761 -5.483338 35750.760542
 10231.000000 -13042.214731 7.016615 3.035963 30528.904914
 10232.000000 -13005.824854 7.213049 27.556480 14383.074301
 10233.000000 -13155.989073 7.145807 36.598086 18556.123558
 10234.000000 -13131.660332 7.013253 13.144097 31008.901991
 10235.000000 -12917.624416 7.203300 14.182416 15800.295414
 10236.000000 -12779.541092 7.313835 5.480359 9360.543856
 10237.000000 -12731.113394 7.860340 18.776497 201.100400
 10238.000000 -12719.656801 7.544530 12.567133 2385.127266
 10239.000000 -13256.113116 7.078202 35.924218 24651.855645
 10240.000000 -12774.655995 7.537384 20.931767 2471.527941
 10241.000000 -13397.395809 7.792382 85.886298 227.954795
 10242.000000 -13169.164378 7.629657 72.170717 227.624317
 10243.000000 -12804.635168 7.986747 27.537570 144.426889
 10244.000000 -13021.473492 7.335488 42.096267 7269.539182
 10245.000000 -13134.453091 7.201756 41.525510 14061.554046
 10246.000000 -13279.649717 7.225401 57.071908 11247.947552
 10247.000000 -13185.606988 7.717211 73.985124 16.346690
 10248.000000 -13433.308260 7.518574 85.245517 1355.385350
 10249.000000 -13686.036731 7.354525 79.298831 4616.457582
 10250.000000 -13475.696590 7.492498 85.543595 1755.016059
 10251.000000 -13357.193197 7.301181 69.054437 6839.073415
 10252.000000 -13485.463151 7.310757 74.960978 6164.369961
 10253.000000 -13575.027708 7.130976 57.944519 17637.412154
 10254.000000 -13624.070300 7.040403 44.864737 26542.056513
 10255.000000 -13936.322125 7.183724 53.274367 11600.120446
 10256.000000 -13950.819236 7.167838 50.428229 12547.533107
 10257.000000 -13848.583957 7.104289 49.234665 17691.549759
 10258.000000 -13763.323211 7.099770 52.016508 18888.144331
 10259.000000 -13578.046396 7.019869 41.049035 29205.794643
 10260.000000 -13961.465393 6.822157 -9.578776 54525.716041
 10261.000000 -13595.684912 6.904176 19.752649 39537.205996
 10262.000000 -13681.445317 6.818859 2.248730 47325.412849
 10263.000000 -13617.738301 6.787252 -4.615737 49863.736148
 10264.000000 -13478.787067 7.066031 46.433266 25054.423132
 10265.000000 -13619.263729 6.840325 6.895534 44484.844866
 10266.000000 -13525.408478 6.759738 -12.248652 53332.513309
 10267.000000 -13532.494445 7.052569 45.703064 26124.133510
 10268.000000 -13530.663455 6.743130 -16.011742 56686.917909
 10269.000000 -13564.327747 6.884246 15.288234 40962.688229
 10270.000000 -13255.585128 6.986606 20.283071 33696.273330
 10271.000000 -13234.158317 6.967751 15.005094 35160.712987
 10272.000000 -12822.767295 7.287836 9.912257 10656.643569
 10273.000000 -12856.783860 7.023205 -22.045061 29914.076615
 10274.000000 -12783.468534 7.123254 -17.176455 22879.845516
 10275.000000 -12871.666225 7.066652 -12.408730 27186.615396
 10276.000000 -13092.501680 7.107315 24.270824 22680.371823
 10277.000000 -13099.963826 7.123813 27.582545 21091.012658
 10278.000000 -13540.199097 7.103100 53.580431 20642.470256
 10279.000000 -13519.094486 7.153047 59.897485 15896.422243
 10280.000000 -13825.864649 7.008723 35.953345 27752.178145
 10281.000000 -13566.726665 7.021429 41.161744 29121.224555
 10282.000000 -13459.395630 6.961072 27.443764 35695.031608
 10283.000000 -13885.660451 6.861126 4.656953 47092.103074
 10284.000000 -14011.007408 6.842368 -9.445361 52766.604445
 10285.000000 -14067.819436 6.958909 8.877819 34313.549478
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 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=mybias.bias IGNORE_TIME ignore the time in the colvar file

# Shift energy and volume (to avoid numerical issues) rvol: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=volume PARAMETERS the parameters of the arguments in your function=7.8 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO renergy: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=energy PARAMETERS the parameters of the arguments in your function=-13250 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO # Weights bias_weights: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=500 ARG the biases that must be taken into account when reweighting=mybias.bias temp_press_weights: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=500 REWEIGHT_TEMPReweighting temperature=300 PRESSUREThe system pressure=0.06022140857 ENERGYEnergy=renergy VOLUMEVolume=rvol # Ensemble average of the volume at 300 K avg_vol: AVERAGECalculate the ensemble average of a collective variable This action is a shortcut and it has hidden defaults. More details ARGthe quantity that is being averaged=volume LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias_weights,temp_press_weights # Ensemble average of the density at 300 K avg_density: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=avg_vol FUNCthe function you wish to evaluate=1000/x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=avg_density FILEthe name of the file on which to output these quantities=COLVAR_REWEIGHT STRIDE the frequency with which the quantities of interest should be output=1

In the next example we calculate the ensemble average of the (particle) density at 500 K and 300 MPa (the simulation pressure was 1 bar).

Click on the labels of the actions for more information on what each action computes
tested on2.11
#SETTINGS INPUTFILES=regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

volume: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
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 10756.000000 -12818.997477 7.868495 33.252256 283.187961
 10757.000000 -12978.593905 7.583092 52.503904 1193.098874
 10758.000000 -12866.289179 7.608024 38.787604 1084.129432
 10759.000000 -12940.470872 7.314835 30.174705 9159.104957
 10760.000000 -12881.323567 7.059079 -12.272112 28025.089358
 10761.000000 -12985.969424 7.717484 55.772440 3.227259
 10762.000000 -13180.374237 7.449791 67.078396 3285.152149
 10763.000000 -12959.037283 7.620612 51.276017 687.016879
 10764.000000 -12962.225220 7.672395 52.680755 174.932333
 10765.000000 -12807.280864 7.919344 30.766137 297.440001
 10766.000000 -13161.767096 7.590726 71.431556 667.686806
 10767.000000 -12808.272964 7.648119 31.656966 621.884857
 10768.000000 -13173.892531 7.390818 62.763378 4863.664266
 10769.000000 -12757.366465 7.684126 24.793337 307.816750
 10770.000000 -12528.758361 7.701987 -11.504540 493.012915
 10771.000000 -12794.398880 7.286194 5.791529 11386.566232
 10772.000000 -13066.262795 7.417560 54.005170 4596.062576
 10773.000000 -13204.031696 7.262794 54.648940 9804.935666
 10774.000000 -13205.054717 7.315051 59.547159 7318.797599
 10775.000000 -13213.866815 7.137906 40.791772 18975.553791
 10776.000000 -13431.241648 6.987895 30.806807 32661.651499
 10777.000000 -13436.902734 7.016313 36.069701 29955.273214
 10778.000000 -13169.239392 7.274653 52.698505 9437.969995
 10779.000000 -12747.760513 7.728776 23.897700 54.595742
 10780.000000 -12568.702254 7.418956 -18.920807 6132.419393
 10781.000000 -12780.225641 7.326975 7.716131 9304.905922
 10782.000000 -13033.531695 7.428948 51.092735 4439.807622
 10783.000000 -12953.790816 6.807038 -47.762615 38082.804820
 10784.000000 -13394.215525 6.877006 7.737773 40663.262232
 10785.000000 -12976.827588 7.020371 -5.096311 30400.699119
 10786.000000 -12990.566498 7.020146 -3.247065 30420.012157
 10787.000000 -13163.070339 6.886316 -7.624109 39034.583708
 10788.000000 -12896.672860 7.162603 5.994829 19807.803494
 10789.000000 -13017.865485 7.162070 22.712735 18777.065123
 10790.000000 -13159.013418 7.200779 43.729409 14211.197617
 10791.000000 -13280.000834 7.047867 32.425817 27493.453929
 10792.000000 -13074.847758 6.835426 -27.182664 39895.571911
 10793.000000 -12962.270711 6.959603 -18.000979 33199.155312
 10794.000000 -12997.576302 7.319553 38.079858 8580.952850
 10795.000000 -13025.477962 7.296491 39.345372 9490.199836
 10796.000000 -12716.717507 7.443693 7.423987 5125.898817
 10797.000000 -13081.389785 7.385930 53.376711 5492.945287
 10798.000000 -13358.019040 7.000087 29.292803 31872.626601
 10799.000000 -13349.889283 7.171614 54.884878 15120.208000
 10800.000000 -13294.211280 7.042055 32.470142 28022.982732
 10801.000000 -13086.140326 7.576302 64.073406 1027.754593
 10802.000000 -12976.622074 7.794746 54.331209 138.966765
 10803.000000 -13113.674241 7.602920 67.475154 602.224454
 10804.000000 -13061.900557 7.510606 58.935278 2328.021737
 10805.000000 -12777.838002 7.132525 -16.593730 22707.579806
 10806.000000 -12741.172088 7.108903 -26.054916 24542.591357
 10807.000000 -12878.678358 6.941326 -33.467364 32863.573478
 10808.000000 -13000.541230 7.065742 5.829649 27140.607050
 10809.000000 -12656.432157 7.077064 -44.928754 26626.155786
 10810.000000 -12781.688892 6.817978 -70.697671 33813.257481
 10811.000000 -12661.519454 6.961139 -64.109594 32171.104524
 10812.000000 -12976.978403 6.969601 -14.147088 32978.271012
 10813.000000 -12764.889706 7.383923 10.460164 6991.037549
 10814.000000 -12895.194740 7.218932 13.241482 15395.290305
 10815.000000 -13048.367062 6.950797 -8.188668 34456.798073
 10816.000000 -13034.858298 7.149754 23.161263 19661.187145
 10817.000000 -12862.829794 7.443892 29.858589 4792.399590
 10818.000000 -12828.687067 7.382540 20.164203 6876.506235
 10819.000000 -12812.680816 7.205255 -0.914206 16832.099688
 10820.000000 -12740.374996 6.943900 -54.430899 32300.003156
 10821.000000 -12539.775379 7.709812 -9.457953 408.243134
 10822.000000 -12731.139986 7.500380 13.503481 3609.094013
 10823.000000 -12980.927440 7.342061 38.011996 7715.113018
 10824.000000 -13264.522042 7.248429 57.922953 10230.113773
 10825.000000 -13322.484860 7.453279 77.164926 2885.784436
 10826.000000 -13354.960565 7.685160 85.135328 0.021750
 10827.000000 -13330.679274 7.770750 83.308671 177.557651
 10828.000000 -13357.844213 7.859901 83.263943 217.207847
 10829.000000 -13282.750694 7.885425 78.999605 177.600603
 10830.000000 -13361.449953 7.741935 85.120768 103.050756
 10831.000000 -13497.759271 7.951254 86.949740 97.003982
 10832.000000 -13781.411958 7.788226 88.245297 149.865093
 10833.000000 -13638.321465 7.735921 91.109262 54.187365
 10834.000000 -14085.544103 7.981145 64.843500 269.048276
 10835.000000 -14072.643889 7.879372 68.002806 342.685759
 10836.000000 -14034.176359 7.995874 69.391951 255.274683
 10837.000000 -14137.997970 7.960360 59.821328 263.019191
 10838.000000 -14184.083376 8.031649 53.897120 78.519852
 10839.000000 -14081.595232 7.888017 66.967604 346.601807
 10840.000000 -13897.759967 7.906470 81.185102 370.526762
 10841.000000 -13935.684550 7.841113 80.059176 307.923114
 10842.000000 -14271.093972 7.597914 41.988821 524.269487
 10843.000000 -13885.960511 7.919110 81.625001 358.542534
 10844.000000 -13816.414543 7.657220 87.391527 91.991341
 10845.000000 -13866.373757 7.840679 84.102981 284.188272
 10846.000000 -13561.513728 7.927993 88.263971 136.347691
 10847.000000 -13615.894407 7.730055 91.182123 45.932667
 10848.000000 -13852.864504 7.861842 84.399861 311.406166
 10849.000000 -13640.113160 7.795611 90.474639 180.998457
 10850.000000 -13818.597550 8.050994 82.611127 376.610444
 10851.000000 -13632.037884 7.816795 90.195110 210.501837
 10852.000000 -13689.486510 7.680414 90.856651 8.457744
 10853.000000 -13668.644690 7.889538 88.955750 213.537505
 10854.000000 -13869.612173 7.782242 84.820825 133.158226
 10855.000000 -13772.096009 7.913184 86.640471 264.817216
 10856.000000 -14067.033548 7.872360 68.756635 339.808004
 10857.000000 -13965.281139 7.744983 79.224982 27.674910
 10858.000000 -14067.563698 7.927837 67.637662 388.269050
 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=volume IGNORE_TIME ignore the time in the colvar file
mybias: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
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 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=mybias.bias IGNORE_TIME ignore the time in the colvar file

# Shift volume (to avoid numerical issues) rvol: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=volume PARAMETERS the parameters of the arguments in your function=7.8 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO # Weights bias_weights: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=500 ARG the biases that must be taken into account when reweighting=mybias.bias temp_press_weights: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=500 PRESSUREThe system pressure=0.06022140857 REWEIGHT_PRESSUREReweighting pressure=180.66422571 VOLUMEVolume=volume # Ensemble average of the volume at 300 K and 300 MPa avg_vol: AVERAGECalculate the ensemble average of a collective variable This action is a shortcut and it has hidden defaults. More details ARGthe quantity that is being averaged=volume LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias_weights,temp_press_weights # Ensemble average of the density at 300 K and 300 MPa avg_density: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=avg_vol FUNCthe function you wish to evaluate=1000/x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=avg_density FILEthe name of the file on which to output these quantities=COLVAR_REWEIGHT STRIDE the frequency with which the quantities of interest should be output=1

In this final example we calculate the ensemble average of the (particle) density at 300 K and 300 MPa (the simulation temperature and pressure were 500 K and 1 bar).

Click on the labels of the actions for more information on what each action computes
tested on2.11
#SETTINGS INPUTFILES=regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

energy: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
 10156.000000 -13149.398279 7.383291 59.437863 4771.692348
 10157.000000 -12896.065027 7.562165 39.282534 1681.918708
 10158.000000 -12918.656578 7.354957 29.590704 6951.081616
 10159.000000 -12687.567792 7.355229 -6.079518 7582.762271
 10160.000000 -13137.020101 7.087175 25.871368 24184.200160
 10161.000000 -12873.061890 7.202651 7.122837 15922.370966
 10162.000000 -12956.608132 6.939455 -22.680969 33681.606327
 10163.000000 -12758.371142 7.234952 -6.808527 13885.255604
 10164.000000 -12929.083882 6.982959 -18.758363 31894.022114
 10165.000000 -13170.982647 6.948516 5.286933 36088.641017
 10166.000000 -13406.772855 6.722165 -25.716652 62003.910356
 10167.000000 -13738.047755 6.814587 0.502234 49140.201719
 10168.000000 -13562.653332 6.831481 4.339170 44988.125641
 10169.000000 -13601.931827 6.849567 8.715973 43803.789178
 10170.000000 -13532.556433 7.093574 52.143170 21750.142788
 10171.000000 -13734.183139 6.976466 33.236323 32425.883362
 10172.000000 -13536.383119 7.022301 40.826720 29459.733340
 10173.000000 -13443.047902 6.877902 10.363877 41710.415268
 10174.000000 -13326.683412 6.904326 9.508642 40089.684968
 10175.000000 -13856.620901 6.900398 14.615565 41537.528102
 10176.000000 -14056.666791 6.832561 -16.367970 55357.808789
 10177.000000 -13855.420183 6.974558 28.872491 31950.204854
 10178.000000 -13874.915368 7.199864 59.320857 10871.772804
 10179.000000 -13949.646585 7.329249 65.769583 5605.931399
 10180.000000 -13728.886202 7.426086 82.954428 2912.731953
 10181.000000 -13633.184664 7.476783 86.776504 1954.012504
 10182.000000 -13198.680328 7.463627 68.789682 2645.410527
 10183.000000 -13114.509881 7.961093 64.614648 114.211383
 10184.000000 -13177.498893 7.531605 70.031543 1416.520081
 10185.000000 -12948.705050 7.366421 34.850115 6411.844678
 10186.000000 -13347.369080 7.431606 77.319835 3030.689026
 10187.000000 -13500.175465 7.485403 85.846305 1866.609266
 10188.000000 -13375.847624 7.760924 85.374864 151.364212
 10189.000000 -13121.288892 7.728081 68.223554 17.236782
 10190.000000 -12939.673593 7.361617 33.254772 6641.345622
 10191.000000 -12749.246594 7.152193 -18.905468 20307.145893
 10192.000000 -12870.232934 7.278893 15.622076 10847.114638
 10193.000000 -12954.371744 7.214890 20.619290 14575.308160
 10194.000000 -12928.971039 7.251178 21.236301 12234.200383
 10195.000000 -12813.690092 6.989265 -35.066809 31149.450018
 10196.000000 -12844.746217 7.141827 -5.297179 21071.386992
 10197.000000 -12783.452076 7.475215 18.452819 3838.991283
 10198.000000 -13074.812743 7.410944 53.757118 4360.968188
 10199.000000 -13342.908584 7.347242 71.750387 5182.119419
 10200.000000 -13704.162047 7.188351 64.535673 12176.131796
 10201.000000 -13569.547860 7.569232 89.823598 639.990619
 10202.000000 -13507.966315 7.503660 86.772517 1558.207622
 10203.000000 -13340.189096 7.538321 81.716265 1118.897718
 10204.000000 -12972.355297 7.532210 48.387440 1991.220258
 10205.000000 -12817.652601 7.497514 25.088194 3245.937152
 10206.000000 -13055.148129 7.702248 61.879921 6.460258
 10207.000000 -12853.551659 7.721143 37.396465 18.713272
 10208.000000 -12768.458433 7.810498 24.762841 110.110442
 10209.000000 -12592.898592 7.803828 -2.415112 0.025334
 10210.000000 -12985.382877 7.679108 54.054253 99.060623
 10211.000000 -13248.044774 7.591796 77.471812 500.079903
 10212.000000 -13151.343295 7.713124 71.026911 5.179698
 10213.000000 -12921.717296 7.432265 36.171572 4503.144315
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 10814.000000 -12895.194740 7.218932 13.241482 15395.290305
 10815.000000 -13048.367062 6.950797 -8.188668 34456.798073
 10816.000000 -13034.858298 7.149754 23.161263 19661.187145
 10817.000000 -12862.829794 7.443892 29.858589 4792.399590
 10818.000000 -12828.687067 7.382540 20.164203 6876.506235
 10819.000000 -12812.680816 7.205255 -0.914206 16832.099688
 10820.000000 -12740.374996 6.943900 -54.430899 32300.003156
 10821.000000 -12539.775379 7.709812 -9.457953 408.243134
 10822.000000 -12731.139986 7.500380 13.503481 3609.094013
 10823.000000 -12980.927440 7.342061 38.011996 7715.113018
 10824.000000 -13264.522042 7.248429 57.922953 10230.113773
 10825.000000 -13322.484860 7.453279 77.164926 2885.784436
 10826.000000 -13354.960565 7.685160 85.135328 0.021750
 10827.000000 -13330.679274 7.770750 83.308671 177.557651
 10828.000000 -13357.844213 7.859901 83.263943 217.207847
 10829.000000 -13282.750694 7.885425 78.999605 177.600603
 10830.000000 -13361.449953 7.741935 85.120768 103.050756
 10831.000000 -13497.759271 7.951254 86.949740 97.003982
 10832.000000 -13781.411958 7.788226 88.245297 149.865093
 10833.000000 -13638.321465 7.735921 91.109262 54.187365
 10834.000000 -14085.544103 7.981145 64.843500 269.048276
 10835.000000 -14072.643889 7.879372 68.002806 342.685759
 10836.000000 -14034.176359 7.995874 69.391951 255.274683
 10837.000000 -14137.997970 7.960360 59.821328 263.019191
 10838.000000 -14184.083376 8.031649 53.897120 78.519852
 10839.000000 -14081.595232 7.888017 66.967604 346.601807
 10840.000000 -13897.759967 7.906470 81.185102 370.526762
 10841.000000 -13935.684550 7.841113 80.059176 307.923114
 10842.000000 -14271.093972 7.597914 41.988821 524.269487
 10843.000000 -13885.960511 7.919110 81.625001 358.542534
 10844.000000 -13816.414543 7.657220 87.391527 91.991341
 10845.000000 -13866.373757 7.840679 84.102981 284.188272
 10846.000000 -13561.513728 7.927993 88.263971 136.347691
 10847.000000 -13615.894407 7.730055 91.182123 45.932667
 10848.000000 -13852.864504 7.861842 84.399861 311.406166
 10849.000000 -13640.113160 7.795611 90.474639 180.998457
 10850.000000 -13818.597550 8.050994 82.611127 376.610444
 10851.000000 -13632.037884 7.816795 90.195110 210.501837
 10852.000000 -13689.486510 7.680414 90.856651 8.457744
 10853.000000 -13668.644690 7.889538 88.955750 213.537505
 10854.000000 -13869.612173 7.782242 84.820825 133.158226
 10855.000000 -13772.096009 7.913184 86.640471 264.817216
 10856.000000 -14067.033548 7.872360 68.756635 339.808004
 10857.000000 -13965.281139 7.744983 79.224982 27.674910
 10858.000000 -14067.563698 7.927837 67.637662 388.269050
 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=energy IGNORE_TIME ignore the time in the colvar file
volume: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
×

FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
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 10705.000000 -13480.869014 7.778216 88.790574 193.008926
 10706.000000 -13560.325068 7.857290 89.018298 217.349816
 10707.000000 -13733.392841 7.555093 87.658229 871.595336
 10708.000000 -13745.238183 7.564539 87.618569 764.412356
 10709.000000 -13634.380863 7.725631 90.954332 36.850246
 10710.000000 -13516.083998 7.680633 90.286327 0.236077
 10711.000000 -13451.407449 7.643473 88.628407 69.752153
 10712.000000 -13649.746812 7.487067 86.619206 1865.401583
 10713.000000 -13740.243907 7.560989 87.676454 806.908944
 10714.000000 -13366.733403 7.532312 83.051634 1249.357955
 10715.000000 -13384.841409 7.328226 72.346641 5966.827531
 10716.000000 -13457.554940 7.547734 86.923957 957.221136
 10717.000000 -13285.183286 7.871941 79.303052 208.823754
 10718.000000 -12828.663005 7.724542 35.750045 26.043046
 10719.000000 -13075.882682 7.808283 64.406650 211.753725
 10720.000000 -13107.757999 7.836472 66.890197 258.764060
 10721.000000 -13018.196294 7.781264 58.984099 119.612307
 10722.000000 -12774.415729 7.968434 25.329425 196.086855
 10723.000000 -12837.985310 7.857900 36.003657 283.078851
 10724.000000 -13153.723264 7.769948 71.732783 134.463909
 10725.000000 -12722.389867 7.202366 -15.469637 17037.831566
 10726.000000 -12773.787805 7.341958 8.220103 8568.707972
 10727.000000 -12783.266962 7.658253 28.192490 522.231347
 10728.000000 -12648.672923 8.156501 5.692685 141.963310
 10729.000000 -12716.397406 8.037516 16.376470 54.834891
 10730.000000 -13013.878119 7.629061 57.907074 466.115258
 10731.000000 -12853.815185 7.715326 39.188120 42.515494
 10732.000000 -12820.285584 7.927852 32.352017 301.536002
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 10734.000000 -12660.160236 7.903790 9.540321 125.728109
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 10736.000000 -12486.006226 7.723751 -17.972501 430.386264
 10737.000000 -12626.733685 7.095428 -46.841135 25135.416869
 10738.000000 -12606.264948 7.448269 -10.382277 5079.189202
 10739.000000 -13030.711380 7.294886 39.943385 9469.923138
 10740.000000 -12701.490379 7.247447 -13.328421 13884.378603
 10741.000000 -12960.362649 7.208061 21.217782 15607.658430
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 10743.000000 -13482.131144 6.958460 27.427268 34896.562513
 10744.000000 -12899.580218 7.108568 -1.483075 24220.113031
 10745.000000 -13044.467892 6.887982 -20.372723 36780.110398
 10746.000000 -12870.567629 6.996757 -24.612410 31340.955187
 10747.000000 -12807.610483 7.036304 -27.411297 29423.449856
 10748.000000 -12948.898289 6.953363 -20.899159 33254.604098
 10749.000000 -12587.838086 7.013102 -67.244575 30150.695335
 10750.000000 -12832.456665 7.153152 -4.955370 20856.551063
 10751.000000 -12704.901455 7.204338 -18.145614 16933.523209
 10752.000000 -12865.522148 7.191064 5.325565 17637.661228
 10753.000000 -12948.517447 7.164842 13.836500 19173.969203
 10754.000000 -13087.570013 7.383736 53.930351 5493.043668
 10755.000000 -12875.570943 7.466853 33.187612 4089.751882
 10756.000000 -12818.997477 7.868495 33.252256 283.187961
 10757.000000 -12978.593905 7.583092 52.503904 1193.098874
 10758.000000 -12866.289179 7.608024 38.787604 1084.129432
 10759.000000 -12940.470872 7.314835 30.174705 9159.104957
 10760.000000 -12881.323567 7.059079 -12.272112 28025.089358
 10761.000000 -12985.969424 7.717484 55.772440 3.227259
 10762.000000 -13180.374237 7.449791 67.078396 3285.152149
 10763.000000 -12959.037283 7.620612 51.276017 687.016879
 10764.000000 -12962.225220 7.672395 52.680755 174.932333
 10765.000000 -12807.280864 7.919344 30.766137 297.440001
 10766.000000 -13161.767096 7.590726 71.431556 667.686806
 10767.000000 -12808.272964 7.648119 31.656966 621.884857
 10768.000000 -13173.892531 7.390818 62.763378 4863.664266
 10769.000000 -12757.366465 7.684126 24.793337 307.816750
 10770.000000 -12528.758361 7.701987 -11.504540 493.012915
 10771.000000 -12794.398880 7.286194 5.791529 11386.566232
 10772.000000 -13066.262795 7.417560 54.005170 4596.062576
 10773.000000 -13204.031696 7.262794 54.648940 9804.935666
 10774.000000 -13205.054717 7.315051 59.547159 7318.797599
 10775.000000 -13213.866815 7.137906 40.791772 18975.553791
 10776.000000 -13431.241648 6.987895 30.806807 32661.651499
 10777.000000 -13436.902734 7.016313 36.069701 29955.273214
 10778.000000 -13169.239392 7.274653 52.698505 9437.969995
 10779.000000 -12747.760513 7.728776 23.897700 54.595742
 10780.000000 -12568.702254 7.418956 -18.920807 6132.419393
 10781.000000 -12780.225641 7.326975 7.716131 9304.905922
 10782.000000 -13033.531695 7.428948 51.092735 4439.807622
 10783.000000 -12953.790816 6.807038 -47.762615 38082.804820
 10784.000000 -13394.215525 6.877006 7.737773 40663.262232
 10785.000000 -12976.827588 7.020371 -5.096311 30400.699119
 10786.000000 -12990.566498 7.020146 -3.247065 30420.012157
 10787.000000 -13163.070339 6.886316 -7.624109 39034.583708
 10788.000000 -12896.672860 7.162603 5.994829 19807.803494
 10789.000000 -13017.865485 7.162070 22.712735 18777.065123
 10790.000000 -13159.013418 7.200779 43.729409 14211.197617
 10791.000000 -13280.000834 7.047867 32.425817 27493.453929
 10792.000000 -13074.847758 6.835426 -27.182664 39895.571911
 10793.000000 -12962.270711 6.959603 -18.000979 33199.155312
 10794.000000 -12997.576302 7.319553 38.079858 8580.952850
 10795.000000 -13025.477962 7.296491 39.345372 9490.199836
 10796.000000 -12716.717507 7.443693 7.423987 5125.898817
 10797.000000 -13081.389785 7.385930 53.376711 5492.945287
 10798.000000 -13358.019040 7.000087 29.292803 31872.626601
 10799.000000 -13349.889283 7.171614 54.884878 15120.208000
 10800.000000 -13294.211280 7.042055 32.470142 28022.982732
 10801.000000 -13086.140326 7.576302 64.073406 1027.754593
 10802.000000 -12976.622074 7.794746 54.331209 138.966765
 10803.000000 -13113.674241 7.602920 67.475154 602.224454
 10804.000000 -13061.900557 7.510606 58.935278 2328.021737
 10805.000000 -12777.838002 7.132525 -16.593730 22707.579806
 10806.000000 -12741.172088 7.108903 -26.054916 24542.591357
 10807.000000 -12878.678358 6.941326 -33.467364 32863.573478
 10808.000000 -13000.541230 7.065742 5.829649 27140.607050
 10809.000000 -12656.432157 7.077064 -44.928754 26626.155786
 10810.000000 -12781.688892 6.817978 -70.697671 33813.257481
 10811.000000 -12661.519454 6.961139 -64.109594 32171.104524
 10812.000000 -12976.978403 6.969601 -14.147088 32978.271012
 10813.000000 -12764.889706 7.383923 10.460164 6991.037549
 10814.000000 -12895.194740 7.218932 13.241482 15395.290305
 10815.000000 -13048.367062 6.950797 -8.188668 34456.798073
 10816.000000 -13034.858298 7.149754 23.161263 19661.187145
 10817.000000 -12862.829794 7.443892 29.858589 4792.399590
 10818.000000 -12828.687067 7.382540 20.164203 6876.506235
 10819.000000 -12812.680816 7.205255 -0.914206 16832.099688
 10820.000000 -12740.374996 6.943900 -54.430899 32300.003156
 10821.000000 -12539.775379 7.709812 -9.457953 408.243134
 10822.000000 -12731.139986 7.500380 13.503481 3609.094013
 10823.000000 -12980.927440 7.342061 38.011996 7715.113018
 10824.000000 -13264.522042 7.248429 57.922953 10230.113773
 10825.000000 -13322.484860 7.453279 77.164926 2885.784436
 10826.000000 -13354.960565 7.685160 85.135328 0.021750
 10827.000000 -13330.679274 7.770750 83.308671 177.557651
 10828.000000 -13357.844213 7.859901 83.263943 217.207847
 10829.000000 -13282.750694 7.885425 78.999605 177.600603
 10830.000000 -13361.449953 7.741935 85.120768 103.050756
 10831.000000 -13497.759271 7.951254 86.949740 97.003982
 10832.000000 -13781.411958 7.788226 88.245297 149.865093
 10833.000000 -13638.321465 7.735921 91.109262 54.187365
 10834.000000 -14085.544103 7.981145 64.843500 269.048276
 10835.000000 -14072.643889 7.879372 68.002806 342.685759
 10836.000000 -14034.176359 7.995874 69.391951 255.274683
 10837.000000 -14137.997970 7.960360 59.821328 263.019191
 10838.000000 -14184.083376 8.031649 53.897120 78.519852
 10839.000000 -14081.595232 7.888017 66.967604 346.601807
 10840.000000 -13897.759967 7.906470 81.185102 370.526762
 10841.000000 -13935.684550 7.841113 80.059176 307.923114
 10842.000000 -14271.093972 7.597914 41.988821 524.269487
 10843.000000 -13885.960511 7.919110 81.625001 358.542534
 10844.000000 -13816.414543 7.657220 87.391527 91.991341
 10845.000000 -13866.373757 7.840679 84.102981 284.188272
 10846.000000 -13561.513728 7.927993 88.263971 136.347691
 10847.000000 -13615.894407 7.730055 91.182123 45.932667
 10848.000000 -13852.864504 7.861842 84.399861 311.406166
 10849.000000 -13640.113160 7.795611 90.474639 180.998457
 10850.000000 -13818.597550 8.050994 82.611127 376.610444
 10851.000000 -13632.037884 7.816795 90.195110 210.501837
 10852.000000 -13689.486510 7.680414 90.856651 8.457744
 10853.000000 -13668.644690 7.889538 88.955750 213.537505
 10854.000000 -13869.612173 7.782242 84.820825 133.158226
 10855.000000 -13772.096009 7.913184 86.640471 264.817216
 10856.000000 -14067.033548 7.872360 68.756635 339.808004
 10857.000000 -13965.281139 7.744983 79.224982 27.674910
 10858.000000 -14067.563698 7.927837 67.637662 388.269050
 10859.000000 -14159.774266 7.888355 58.635568 206.018425
 10860.000000 -14193.902248 7.797699 55.300548 7.418775
 10861.000000 -13966.782908 7.933170 76.142825 405.666302
 10862.000000 -14094.512706 7.947904 64.627120 343.016160
 10863.000000 -14168.534957 7.912381 57.297559 221.315516
 10864.000000 -14234.141644 7.862145 49.859540 23.495377
 10865.000000 -14226.284901 7.900932 50.579364 82.400008
 10866.000000 -14320.403789 7.789786 37.624895 180.110378
 10867.000000 -14183.469976 7.723641 56.608226 30.795619
 10868.000000 -14155.861626 8.070783 56.755629 22.024190
 10869.000000 -14152.610162 7.961135 58.336510 253.496381
 10870.000000 -14385.972171 7.921872 30.093183 53.352046
 10871.000000 -14329.301596 7.862697 37.185057 66.688849
 10872.000000 -14366.717162 8.010642 32.480134 45.663797
 10873.000000 -14065.561960 8.130741 65.405914 58.525106
 10874.000000 -14156.436212 7.943382 58.229428 262.523422
 10875.000000 -14241.871632 7.800487 48.966418 5.006792
 10876.000000 -14216.816982 7.823388 52.324309 9.246406
 10877.000000 -14246.371120 7.858976 48.350188 9.327499
 10878.000000 -14446.907292 7.782280 18.695497 991.592390
 10879.000000 -14230.933989 7.921198 49.885845 101.919612
 10880.000000 -14237.192869 7.780889 49.584258 13.571057
 10881.000000 -14416.182358 7.915839 26.095850 133.368208
 10882.000000 -14360.296056 7.948550 33.527093 0.037608
 10883.000000 -14419.012507 7.768908 22.461659 797.487520
 10884.000000 -14414.708510 7.926053 26.402951 88.036769
 10885.000000 -14392.513120 7.809377 27.439065 514.379649
 10886.000000 -14348.807793 7.843090 34.329603 174.176866
 10887.000000 -14321.947390 7.885586 38.395779 18.116191
 10888.000000 -14330.683181 7.826135 36.697642 147.677675
 10889.000000 -14357.962216 7.863862 33.333439 147.344449
 10890.000000 -14260.492158 7.882553 46.519956 13.342226
 10891.000000 -14329.278513 7.934350 37.538303 1.392261
 10892.000000 -14232.264914 7.896305 50.042879 68.450606
 10893.000000 -14160.793079 7.937376 57.976586 262.715837
 10894.000000 -14275.427594 7.949777 44.263293 64.167642
 10895.000000 -14430.805349 7.759901 20.464871 906.181295
 10896.000000 -14341.581443 7.881107 35.788019 56.346267
 10897.000000 -14306.031043 7.917747 40.590691 3.484017
 10898.000000 -14325.311480 8.004774 37.707728 67.820308
 10899.000000 -14097.878462 7.857000 66.210583 259.198606
 10900.000000 -14292.267737 7.835426 42.291325 31.958711
 10901.000000 -14404.182219 7.892654 27.482899 197.675621
 10902.000000 -14361.506446 7.864164 32.936332 157.773218
 10903.000000 -14430.296801 7.865275 23.442334 471.124532
 10904.000000 -14247.271090 7.802951 48.445075 8.627658
 10905.000000 -14455.871032 7.696798 14.622300 1105.913835
 10906.000000 -14379.639756 7.849881 30.226821 288.005073
 10907.000000 -14350.901465 7.736773 32.302161 415.481206
 10908.000000 -13988.788075 7.982935 73.787992 339.049450
 10909.000000 -14277.577977 7.632099 41.905621 415.997599
 10910.000000 -14421.578682 7.610619 17.610944 870.522186
 10911.000000 -14270.927804 7.666759 43.601645 294.643278
 10912.000000 -14363.616627 7.650669 28.395817 549.585782
 10913.000000 -14369.292346 7.683794 28.244982 547.038728
 10914.000000 -14386.542711 7.707755 26.046699 631.383509
 10915.000000 -14317.035785 7.682079 36.659623 361.990751
 10916.000000 -14325.199755 7.627996 34.231441 499.897029
 10917.000000 -14318.500100 7.567571 33.835591 779.474969
 10918.000000 -14261.885895 7.448849 38.162978 2702.056278
 10919.000000 -14190.637633 7.741065 56.117765 22.287744
 10920.000000 -14070.705082 7.664528 69.909802 170.404391
 10921.000000 -14188.027190 7.630920 55.153707 401.239919
 10922.000000 -14381.613762 7.734930 27.571127 601.712177
 10923.000000 -14400.848420 7.667912 22.753815 723.646912
 10924.000000 -14238.219256 7.762791 49.734537 40.693938
 10925.000000 -14278.177592 7.869497 44.572820 0.024109
 10926.000000 -14313.384550 7.747701 38.485867 252.285272
 10927.000000 -14177.661918 7.834137 57.717699 62.712583
 10928.000000 -14107.883893 7.944007 63.880121 365.339160
 10929.000000 -14051.849899 7.795431 71.967744 112.228891
 10930.000000 -14113.098775 7.870583 64.706865 269.143143
 10931.000000 -14182.470462 7.589788 55.018021 733.059342
 10932.000000 -13974.040249 7.793311 78.655847 140.755522
 10933.000000 -13987.314458 7.761921 77.938174 46.492176
 10934.000000 -14036.318557 7.603932 72.263685 662.804579
 10935.000000 -13753.705628 7.589726 88.512375 608.555217
 10936.000000 -13489.401131 7.618410 89.340020 248.170463
 10937.000000 -13406.694869 7.734848 87.145881 67.824198
 10938.000000 -13560.430293 8.100211 85.343632 1449.214559
 10939.000000 -13448.374947 8.256161 76.307338 0.000745
 10940.000000 -13722.007508 8.255202 78.330923 0.000255
 10941.000000 -13555.214815 8.189236 80.660031 3387.253575
 10942.000000 -13657.234911 7.944187 88.608884 183.710535
 10943.000000 -13662.851449 8.026610 87.322326 353.596043
 10944.000000 -13653.811601 8.227380 79.383802 1064.263544
 10945.000000 -13776.654625 8.095003 83.385984 860.974827
 10946.000000 -13873.463347 7.858164 84.042229 315.527442
 10947.000000 -13890.875945 7.953431 81.299134 372.974978
 10948.000000 -13571.866054 7.877653 89.325720 189.930247
 10949.000000 -13762.857308 7.957364 86.643452 265.573708
 10950.000000 -14194.176537 7.628863 54.505198 451.561362
 10951.000000 -13725.997947 7.983866 87.135745 256.676665
 10952.000000 -13757.543946 7.750013 89.744800 45.427734
 10953.000000 -13637.296284 7.780079 90.992971 128.146642
 10954.000000 -13772.698458 8.001456 85.641402 310.819591
 10955.000000 -13655.367552 7.964399 88.410169 187.644967
 10956.000000 -13335.976728 7.999666 81.014463 70.151216
 10957.000000 -13471.557212 7.960978 86.512620 89.598425
 10958.000000 -13464.758218 7.713942 89.221223 19.113679
 10959.000000 -13595.376249 7.826274 90.303931 198.626431
 10960.000000 -13684.556529 7.486648 86.249268 2122.429387
 10961.000000 -13319.722895 7.615159 82.744417 315.126921
 10962.000000 -13127.281092 7.849958 68.577043 233.942966
 10963.000000 -13084.679891 7.843407 64.906970 238.529026
 10964.000000 -12852.422642 7.531334 33.668596 2682.152581
 10965.000000 -12511.966844 7.592527 -17.700477 2074.460703
 10966.000000 -12475.354774 7.533726 -27.021246 3483.628173
 10967.000000 -12545.950106 7.498896 -17.025581 3954.122685
 10968.000000 -12824.778620 6.877190 -53.459886 32974.609246
 10969.000000 -12616.088067 7.591008 -0.442125 1825.066613
 10970.000000 -12951.305988 7.234434 22.889064 13950.799863
 10971.000000 -12963.808275 7.270268 28.609623 11531.748951
 10972.000000 -13149.970212 7.345241 56.824488 6594.855959
 10973.000000 -13004.707899 7.118179 14.404231 22791.721493
 10974.000000 -13065.917354 7.148553 26.504145 19510.605545
 10975.000000 -12776.885550 7.336860 8.141615 8973.855645
 10976.000000 -12823.968775 7.309747 12.731979 10160.632936
 10977.000000 -13064.128016 7.171063 29.348608 17619.738872
 10978.000000 -13451.132742 7.009583 34.830111 30436.145749
 10979.000000 -13458.368848 6.987208 31.131005 32439.739939
 10980.000000 -13343.560825 7.132979 48.964351 18667.664933
 10981.000000 -13192.588538 7.484364 69.679321 2604.343133
 10982.000000 -13429.225118 6.946689 22.450119 35871.359832
 10983.000000 -12937.210031 7.096822 1.786147 25146.301061
 10984.000000 -13086.502886 7.256088 42.028653 11279.787736
 10985.000000 -12781.746713 7.138628 -15.206254 22383.418376
 10986.000000 -13243.844303 7.335714 63.866051 6465.951667
 10987.000000 -13220.592298 7.027991 23.736883 29624.921842
 10988.000000 -13421.941132 7.049517 40.354457 26664.045987
 10989.000000 -13265.822373 7.022140 26.431116 30054.855595
 10990.000000 -13006.415192 7.062582 5.770752 27469.405108
 10991.000000 -12946.615765 6.974769 -17.783734 32641.817643
 10992.000000 -12589.450798 7.217978 -35.772372 16256.173084
 10993.000000 -12763.920712 7.048426 -32.507116 28876.547324
 10994.000000 -13079.892562 7.318640 47.415371 8119.692643
 10995.000000 -13543.014956 6.947194 26.235520 35196.481841
 10996.000000 -13525.164294 6.757762 -13.090174 52166.858231
 10997.000000 -13387.676384 6.906135 12.586363 38718.247185
 10998.000000 -13680.805392 6.581648 -62.191863 133671.080505
 10999.000000 -13086.440141 7.244387 40.735752 12000.275332
 11000.000000 -13475.553758 7.353706 76.895356 5239.472219
VALUESthe values to read from the file=volume IGNORE_TIME ignore the time in the colvar file
mybias: READRead quantities from a colvar file. This action has hidden defaults. More details FILEthe name of the file from which to read these quantities=
regtest/landmarks/rt-reweight-temp-press/COLVAR-READ
Click here to see an extract from this file.
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FILE: regtest/landmarks/rt-reweight-temp-press/COLVAR-READ

#! FIELDS time energy vol b1.bias b1.force2
 10000.000000 -13133.769283 7.488921 63.740530 2205.589799
 10001.000000 -13200.239722 7.116548 36.691988 20866.224264
 10002.000000 -13165.108850 7.202273 44.408815 13473.827605
 10003.000000 -13091.579357 7.084020 20.106234 24639.821219
 10004.000000 -12789.996006 7.394485 12.988558 5835.760543
 10005.000000 -12930.398356 7.181036 12.543176 17086.452279
 10006.000000 -12650.269503 7.172026 -32.951396 18409.958184
 10007.000000 -12809.048530 7.191159 -4.568765 16777.909274
 10008.000000 -12718.419392 7.483893 7.702594 3575.270400
 10009.000000 -12766.794948 7.028560 -36.060245 29227.557833
 10010.000000 -12892.988331 7.078092 -8.101888 25947.070463
 10011.000000 -12921.655585 7.164003 8.985819 18563.515324
 10012.000000 -12749.901998 7.076216 -30.842096 26102.265652
 10013.000000 -12722.529843 7.138041 -25.773853 21165.526327
 10014.000000 -12792.596640 7.194058 -6.802760 16589.182598
 10015.000000 -12880.037261 7.207146 8.401167 15304.499791
 10016.000000 -12478.517010 7.182714 -62.198421 18496.348423
 10017.000000 -12945.612127 6.924948 -27.114331 34036.334469
 10018.000000 -12801.735232 7.324701 8.966336 8447.342619
 10019.000000 -12996.212909 7.386423 42.087577 5293.473729
 10020.000000 -12832.115527 7.566289 29.597152 1716.459770
 10021.000000 -12803.308615 7.722390 29.014900 28.248068
 10022.000000 -13126.682999 7.602369 67.047294 507.065302
 10023.000000 -13109.534496 7.655370 66.280538 121.418388
 10024.000000 -12894.803121 7.530580 37.071314 2211.261330
 10025.000000 -12699.984061 7.679274 12.534683 338.955890
 10026.000000 -12881.061562 7.858851 38.816591 306.621477
 10027.000000 -12823.338156 7.391907 17.967354 5848.145914
 10028.000000 -12644.637793 7.889378 3.904429 101.782498
 10029.000000 -13021.491721 7.658886 57.066223 173.765169
 10030.000000 -13066.166635 7.962817 59.291195 127.608955
 10031.000000 -13156.601725 7.716078 70.873017 6.984992
 10032.000000 -12637.382796 7.916921 2.544081 96.205779
 10033.000000 -12764.431945 7.727931 23.229169 28.002020
 10034.000000 -12926.338336 7.700524 45.981133 46.789120
 10035.000000 -12836.075214 7.790758 33.624441 88.037151
 10036.000000 -12867.505117 7.745258 38.267549 2.228002
 10037.000000 -12634.525671 7.930246 2.002484 88.447045
 10038.000000 -12952.664027 7.840413 48.346893 265.676878
 10039.000000 -12688.721801 8.094840 9.266892 1.562173
 10040.000000 -12636.100501 7.752975 3.171478 30.894889
 10041.000000 -12873.114631 7.660645 38.377832 328.073308
 10042.000000 -13197.161020 7.517000 70.761636 1580.830370
 10043.000000 -12837.935753 7.529577 28.849210 2413.067136
 10044.000000 -12755.869756 7.420485 9.571411 5153.761437
 10045.000000 -12759.704768 7.713503 22.449578 77.620124
 10046.000000 -12745.025953 7.808484 20.126722 83.596584
 10047.000000 -12634.557887 7.708317 2.510198 205.248258
 10048.000000 -12766.039924 7.237040 -5.752221 13516.061227
 10049.000000 -12941.320685 7.340948 31.196322 7237.642508
 10050.000000 -13495.991486 7.218119 67.013551 10751.079058
 10051.000000 -13295.468778 7.054532 35.105449 27069.593616
 10052.000000 -13148.355611 6.941558 1.554445 36351.360222
 10053.000000 -13055.073447 6.970931 -3.821903 33524.341383
 10054.000000 -12867.991688 6.942193 -35.449220 32654.330475
 10055.000000 -12934.085821 6.991059 -16.788227 31551.655340
 10056.000000 -13274.851589 6.996392 23.459463 32985.897198
 10057.000000 -13475.769046 6.683003 -33.105211 76263.630194
 10058.000000 -13520.684897 6.647093 -42.164386 94334.618482
 10059.000000 -13117.218124 7.011453 10.971847 31096.771200
 10060.000000 -13053.912981 7.014221 3.796035 30668.580674
 10061.000000 -12658.728700 7.093588 -43.008522 24577.898121
 10062.000000 -12866.488563 7.105808 -7.761046 23802.884334
 10063.000000 -12600.727953 6.794615 -105.819109 36539.581326
 10064.000000 -12648.392645 7.007437 -58.998690 29915.740047
 10065.000000 -12817.932959 7.183184 -4.188045 17466.708315
 10066.000000 -12764.886166 7.384801 8.372740 6249.210019
 10067.000000 -12903.998238 7.359824 27.524198 6698.968828
 10068.000000 -12885.908360 7.142345 0.653598 20646.711427
 10069.000000 -12695.302298 7.393987 -2.100070 6052.834931
 10070.000000 -12776.718308 7.587243 22.190788 1472.907625
 10071.000000 -12890.848767 7.687260 41.329007 126.791461
 10072.000000 -12600.231345 7.531907 -8.882087 2621.815917
 10073.000000 -12879.853559 7.664117 39.507794 296.974212
 10074.000000 -12437.444157 7.798531 -27.460389 95.323202
 10075.000000 -12661.967682 7.837442 7.246049 65.782220
 10076.000000 -12630.799723 7.736107 2.352107 82.888750
 10077.000000 -12975.341304 7.509788 47.011937 2361.146926
 10078.000000 -12986.400121 7.356700 38.642702 6411.534460
 10079.000000 -12948.042168 7.469673 41.324298 3333.803852
 10080.000000 -13200.498291 7.502346 70.493005 1843.943899
 10081.000000 -13139.052243 7.521477 65.797048 1632.461040
 10082.000000 -12585.112763 7.703661 -5.438538 306.299101
 10083.000000 -13268.106710 7.217494 55.228805 11665.030000
 10084.000000 -13194.719069 7.138893 39.305482 18738.319020
 10085.000000 -13194.560265 7.044921 24.937933 28145.038468
 10086.000000 -12839.004742 7.394168 20.684141 5783.105481
 10087.000000 -13078.847034 7.363563 50.461521 5663.642715
 10088.000000 -13215.298715 7.569088 74.093159 793.915354
 10089.000000 -13441.974802 7.637259 88.288842 106.253628
 10090.000000 -13189.138087 7.876066 71.838067 208.173925
 10091.000000 -13093.329743 8.115845 60.475562 384.410758
 10092.000000 -12662.261545 7.930536 6.395849 119.921041
 10093.000000 -12717.417114 7.758577 16.342068 0.591196
 10094.000000 -12668.075511 8.050394 6.465113 1.820458
 10095.000000 -12532.889322 7.621917 -16.085734 1260.973966
 10096.000000 -12848.945508 7.549006 31.604114 2032.435573
 10097.000000 -12654.364324 7.472030 -3.218566 3931.718636
 10098.000000 -12645.390988 7.354179 -13.487433 7605.792561
 10099.000000 -12671.117530 7.663819 7.873640 527.373148
 10100.000000 -12700.783564 8.063149 11.237057 0.508955
 10101.000000 -12625.422955 7.818506 1.815044 14.323263
 10102.000000 -12746.869364 7.184286 -15.255623 17511.573116
 10103.000000 -12534.112584 7.392305 -29.133190 6657.779152
 10104.000000 -12735.895993 7.394462 4.653535 6016.438608
 10105.000000 -12851.458399 7.586380 33.554081 1357.079171
 10106.000000 -12559.269955 7.687188 -9.830043 479.692018
 10107.000000 -12666.660798 7.357987 -9.591691 7416.479849
 10108.000000 -12935.263541 7.421925 36.713816 4614.323758
 10109.000000 -12438.477312 7.710712 -28.709255 679.773554
 10110.000000 -12514.230969 7.799017 -15.464766 30.057406
 10111.000000 -12491.369492 8.001105 -19.821116 80.608564
 10112.000000 -12781.960413 7.774024 26.300812 22.549159
 10113.000000 -12853.643047 7.783088 36.567810 70.532087
 10114.000000 -12962.435492 7.609602 49.368884 747.260819
 10115.000000 -12580.802502 7.854300 -5.165641 22.076396
 10116.000000 -12449.895872 7.479318 -37.499485 4602.348050
 10117.000000 -12543.038792 7.476978 -21.401262 4016.484984
 10118.000000 -13193.433713 7.640679 73.862977 149.833032
 10119.000000 -12909.474270 7.943230 41.490820 267.315762
 10120.000000 -12633.472967 7.832240 3.138188 34.629072
 10121.000000 -12832.071648 7.727020 33.730626 13.590958
 10122.000000 -12721.601471 8.048560 14.396854 5.927683
 10123.000000 -12893.014305 7.954810 39.179846 241.967293
 10124.000000 -12970.962964 7.916110 49.634268 288.859068
 10125.000000 -13132.304790 7.542803 66.107156 1309.755153
 10126.000000 -12784.144813 7.507237 19.903504 3054.059062
 10127.000000 -12543.856620 8.033010 -11.832069 23.262639
 10128.000000 -12615.712184 7.615889 -2.384711 1186.727438
 10129.000000 -12620.910318 7.621695 -1.322080 1099.460612
 10130.000000 -12787.382886 7.497531 19.887996 3265.881965
 10131.000000 -12820.718736 7.328406 12.598922 8374.667261
 10132.000000 -13113.800458 7.540345 64.240410 1394.146914
 10133.000000 -13367.268376 8.060447 81.213575 327.248658
 10134.000000 -12745.770295 8.045359 17.959735 11.340785
 10135.000000 -13026.492601 7.803154 57.852646 174.060305
 10136.000000 -13067.962017 7.426267 53.699387 3923.545305
 10137.000000 -13087.047758 7.394178 53.708750 4716.936861
 10138.000000 -13309.795909 7.380511 71.987631 4268.551926
 10139.000000 -12993.716761 7.244460 29.186216 12097.289503
 10140.000000 -13122.133285 7.542230 65.161350 1348.171783
 10141.000000 -13430.054897 7.612069 87.550498 257.892232
 10142.000000 -13356.280871 7.435530 77.955143 2917.015865
 10143.000000 -13272.529939 7.316998 64.870305 6419.531559
 10144.000000 -12993.060294 7.366490 40.507807 6113.089200
 10145.000000 -12899.654402 7.332502 24.866807 7930.872439
 10146.000000 -12882.049971 6.961378 -29.670672 32297.457674
 10147.000000 -13013.964418 6.928683 -16.850851 34903.705330
 10148.000000 -12750.327551 6.976900 -47.467369 31327.171075
 10149.000000 -12918.438550 7.252637 19.675382 12107.436985
 10150.000000 -13197.777869 7.101765 34.296027 22416.879465
 10151.000000 -13224.916297 6.984908 17.201814 33762.339276
 10152.000000 -12760.860416 7.039557 -34.890343 28648.218353
 10153.000000 -12707.059878 7.368406 -1.812524 7037.832350
 10154.000000 -12666.602210 7.088384 -42.228705 25103.623424
 10155.000000 -12858.823656 7.443838 27.559156 4394.969763
 10156.000000 -13149.398279 7.383291 59.437863 4771.692348
 10157.000000 -12896.065027 7.562165 39.282534 1681.918708
 10158.000000 -12918.656578 7.354957 29.590704 6951.081616
 10159.000000 -12687.567792 7.355229 -6.079518 7582.762271
 10160.000000 -13137.020101 7.087175 25.871368 24184.200160
 10161.000000 -12873.061890 7.202651 7.122837 15922.370966
 10162.000000 -12956.608132 6.939455 -22.680969 33681.606327
 10163.000000 -12758.371142 7.234952 -6.808527 13885.255604
 10164.000000 -12929.083882 6.982959 -18.758363 31894.022114
 10165.000000 -13170.982647 6.948516 5.286933 36088.641017
 10166.000000 -13406.772855 6.722165 -25.716652 62003.910356
 10167.000000 -13738.047755 6.814587 0.502234 49140.201719
 10168.000000 -13562.653332 6.831481 4.339170 44988.125641
 10169.000000 -13601.931827 6.849567 8.715973 43803.789178
 10170.000000 -13532.556433 7.093574 52.143170 21750.142788
 10171.000000 -13734.183139 6.976466 33.236323 32425.883362
 10172.000000 -13536.383119 7.022301 40.826720 29459.733340
 10173.000000 -13443.047902 6.877902 10.363877 41710.415268
 10174.000000 -13326.683412 6.904326 9.508642 40089.684968
 10175.000000 -13856.620901 6.900398 14.615565 41537.528102
 10176.000000 -14056.666791 6.832561 -16.367970 55357.808789
 10177.000000 -13855.420183 6.974558 28.872491 31950.204854
 10178.000000 -13874.915368 7.199864 59.320857 10871.772804
 10179.000000 -13949.646585 7.329249 65.769583 5605.931399
 10180.000000 -13728.886202 7.426086 82.954428 2912.731953
 10181.000000 -13633.184664 7.476783 86.776504 1954.012504
 10182.000000 -13198.680328 7.463627 68.789682 2645.410527
 10183.000000 -13114.509881 7.961093 64.614648 114.211383
 10184.000000 -13177.498893 7.531605 70.031543 1416.520081
 10185.000000 -12948.705050 7.366421 34.850115 6411.844678
 10186.000000 -13347.369080 7.431606 77.319835 3030.689026
 10187.000000 -13500.175465 7.485403 85.846305 1866.609266
 10188.000000 -13375.847624 7.760924 85.374864 151.364212
 10189.000000 -13121.288892 7.728081 68.223554 17.236782
 10190.000000 -12939.673593 7.361617 33.254772 6641.345622
 10191.000000 -12749.246594 7.152193 -18.905468 20307.145893
 10192.000000 -12870.232934 7.278893 15.622076 10847.114638
 10193.000000 -12954.371744 7.214890 20.619290 14575.308160
 10194.000000 -12928.971039 7.251178 21.236301 12234.200383
 10195.000000 -12813.690092 6.989265 -35.066809 31149.450018
 10196.000000 -12844.746217 7.141827 -5.297179 21071.386992
 10197.000000 -12783.452076 7.475215 18.452819 3838.991283
 10198.000000 -13074.812743 7.410944 53.757118 4360.968188
 10199.000000 -13342.908584 7.347242 71.750387 5182.119419
 10200.000000 -13704.162047 7.188351 64.535673 12176.131796
 10201.000000 -13569.547860 7.569232 89.823598 639.990619
 10202.000000 -13507.966315 7.503660 86.772517 1558.207622
 10203.000000 -13340.189096 7.538321 81.716265 1118.897718
 10204.000000 -12972.355297 7.532210 48.387440 1991.220258
 10205.000000 -12817.652601 7.497514 25.088194 3245.937152
 10206.000000 -13055.148129 7.702248 61.879921 6.460258
 10207.000000 -12853.551659 7.721143 37.396465 18.713272
 10208.000000 -12768.458433 7.810498 24.762841 110.110442
 10209.000000 -12592.898592 7.803828 -2.415112 0.025334
 10210.000000 -12985.382877 7.679108 54.054253 99.060623
 10211.000000 -13248.044774 7.591796 77.471812 500.079903
 10212.000000 -13151.343295 7.713124 71.026911 5.179698
 10213.000000 -12921.717296 7.432265 36.171572 4503.144315
 10214.000000 -12688.047162 7.519145 5.925802 2928.912863
 10215.000000 -12880.333488 7.448988 31.457024 4227.614006
 10216.000000 -13145.579184 7.177397 39.613674 15858.782313
 10217.000000 -12856.432990 7.254132 11.026267 12469.575109
 10218.000000 -12785.076539 6.970529 -42.793457 31635.210951
 10219.000000 -12972.831620 7.014685 -6.690150 30485.494374
 10220.000000 -12842.986515 7.136224 -6.267060 21609.468625
 10221.000000 -12754.421506 7.497470 15.434212 3368.543394
 10222.000000 -12579.149161 7.475428 -14.629582 4033.797042
 10223.000000 -12644.149227 7.747587 5.704184 37.985072
 10224.000000 -12623.312187 7.397831 -12.717112 6232.486184
 10225.000000 -12928.289513 7.010939 -13.710983 30602.742854
 10226.000000 -13030.889624 7.025197 3.041014 29888.137877
 10227.000000 -13112.101895 7.018795 11.901495 30506.096204
 10228.000000 -13121.478943 6.837522 -21.578756 41446.773624
 10229.000000 -13105.495484 6.951017 -1.156833 35169.328733
 10230.000000 -13091.284466 6.936761 -5.483338 35750.760542
 10231.000000 -13042.214731 7.016615 3.035963 30528.904914
 10232.000000 -13005.824854 7.213049 27.556480 14383.074301
 10233.000000 -13155.989073 7.145807 36.598086 18556.123558
 10234.000000 -13131.660332 7.013253 13.144097 31008.901991
 10235.000000 -12917.624416 7.203300 14.182416 15800.295414
 10236.000000 -12779.541092 7.313835 5.480359 9360.543856
 10237.000000 -12731.113394 7.860340 18.776497 201.100400
 10238.000000 -12719.656801 7.544530 12.567133 2385.127266
 10239.000000 -13256.113116 7.078202 35.924218 24651.855645
 10240.000000 -12774.655995 7.537384 20.931767 2471.527941
 10241.000000 -13397.395809 7.792382 85.886298 227.954795
 10242.000000 -13169.164378 7.629657 72.170717 227.624317
 10243.000000 -12804.635168 7.986747 27.537570 144.426889
 10244.000000 -13021.473492 7.335488 42.096267 7269.539182
 10245.000000 -13134.453091 7.201756 41.525510 14061.554046
 10246.000000 -13279.649717 7.225401 57.071908 11247.947552
 10247.000000 -13185.606988 7.717211 73.985124 16.346690
 10248.000000 -13433.308260 7.518574 85.245517 1355.385350
 10249.000000 -13686.036731 7.354525 79.298831 4616.457582
 10250.000000 -13475.696590 7.492498 85.543595 1755.016059
 10251.000000 -13357.193197 7.301181 69.054437 6839.073415
 10252.000000 -13485.463151 7.310757 74.960978 6164.369961
 10253.000000 -13575.027708 7.130976 57.944519 17637.412154
 10254.000000 -13624.070300 7.040403 44.864737 26542.056513
 10255.000000 -13936.322125 7.183724 53.274367 11600.120446
 10256.000000 -13950.819236 7.167838 50.428229 12547.533107
 10257.000000 -13848.583957 7.104289 49.234665 17691.549759
 10258.000000 -13763.323211 7.099770 52.016508 18888.144331
 10259.000000 -13578.046396 7.019869 41.049035 29205.794643
 10260.000000 -13961.465393 6.822157 -9.578776 54525.716041
 10261.000000 -13595.684912 6.904176 19.752649 39537.205996
 10262.000000 -13681.445317 6.818859 2.248730 47325.412849
 10263.000000 -13617.738301 6.787252 -4.615737 49863.736148
 10264.000000 -13478.787067 7.066031 46.433266 25054.423132
 10265.000000 -13619.263729 6.840325 6.895534 44484.844866
 10266.000000 -13525.408478 6.759738 -12.248652 53332.513309
 10267.000000 -13532.494445 7.052569 45.703064 26124.133510
 10268.000000 -13530.663455 6.743130 -16.011742 56686.917909
 10269.000000 -13564.327747 6.884246 15.288234 40962.688229
 10270.000000 -13255.585128 6.986606 20.283071 33696.273330
 10271.000000 -13234.158317 6.967751 15.005094 35160.712987
 10272.000000 -12822.767295 7.287836 9.912257 10656.643569
 10273.000000 -12856.783860 7.023205 -22.045061 29914.076615
 10274.000000 -12783.468534 7.123254 -17.176455 22879.845516
 10275.000000 -12871.666225 7.066652 -12.408730 27186.615396
 10276.000000 -13092.501680 7.107315 24.270824 22680.371823
 10277.000000 -13099.963826 7.123813 27.582545 21091.012658
 10278.000000 -13540.199097 7.103100 53.580431 20642.470256
 10279.000000 -13519.094486 7.153047 59.897485 15896.422243
 10280.000000 -13825.864649 7.008723 35.953345 27752.178145
 10281.000000 -13566.726665 7.021429 41.161744 29121.224555
 10282.000000 -13459.395630 6.961072 27.443764 35695.031608
 10283.000000 -13885.660451 6.861126 4.656953 47092.103074
 10284.000000 -14011.007408 6.842368 -9.445361 52766.604445
 10285.000000 -14067.819436 6.958909 8.877819 34313.549478
 10286.000000 -14081.791452 6.757442 -38.059184 66391.302229
 10287.000000 -14117.978337 7.128746 29.135608 16025.334358
 10288.000000 -14098.795905 6.957698 5.043720 34694.732556
 10289.000000 -14058.541230 6.978397 13.428763 31364.583332
 10290.000000 -14173.487274 6.907345 -14.743255 43549.006061
 10291.000000 -14325.535481 6.911343 -38.169894 43414.436056
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VALUESthe values to read from the file=mybias.bias IGNORE_TIME ignore the time in the colvar file

# Shift energy and volume (to avoid numerical issues) rvol: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=volume PARAMETERS the parameters of the arguments in your function=7.8 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO renergy: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=energy PARAMETERS the parameters of the arguments in your function=-13250 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO # Weights bias_weights: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=500 ARG the biases that must be taken into account when reweighting=mybias.bias temp_press_weights: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=500 REWEIGHT_TEMPReweighting temperature=300 PRESSUREThe system pressure=0.06022140857 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=rvol # Ensemble average of the volume at 300 K and 300 MPa avg_vol: AVERAGECalculate the ensemble average of a collective variable This action is a shortcut and it has hidden defaults. More details ARGthe quantity that is being averaged=volume LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias_weights,temp_press_weights # Ensemble average of the density at 300 K and 300 MPa avg_density: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=avg_vol FUNCthe function you wish to evaluate=1000/x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=avg_density FILEthe name of the file on which to output these quantities=COLVAR_REWEIGHT STRIDE the frequency with which the quantities of interest should be output=1

Input

The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.

Keyword Type Description
ENERGY scalar Energy
VOLUME scalar Volume

Full list of keywords

The following table describes the keywords and options that can be used with this action

Keyword Type Default Description
ENERGY input none Energy
VOLUME input none Volume
TEMP optional not used the system temperature
REWEIGHT_PRESSURE optional not used Reweighting pressure
PRESSURE optional not used The system pressure
REWEIGHT_TEMP optional not used Reweighting temperature

References

More information about how this action can be used is available in the following articles: