This is part of the multicolvar module |
Dump atom positions and multicolvar on a file.
DATA | certain actions in plumed work by calculating a list of variables and summing over them. This particular action can be used to calculate functions of these base variables or prints them to a file. This keyword thus takes the label of one of those such variables as input. |
STRIDE | ( default=1 ) the frequency with which the atoms should be output |
FILE | file on which to output coordinates |
UNITS | ( default=PLUMED ) the units in which to print out the coordinates. PLUMED means internal PLUMED units |
PRECISION | The number of digits in trajectory file |
pos: GROUP ATOMS=220,221,235,236,247,248,438,439,450,451,534,535 neg: GROUP ATOMS=65,68,138,182,185,267,270,291,313,316,489,583,621,711 DISTANCES GROUPA=pos GROUPB=neg LABEL=slt DUMPMULTICOLVAR DATA=slt FILE=MULTICOLVAR.xyz
(see also DISTANCES)