| This is part of the dimred module |
| It is only available if you configure PLUMED with ./configure –enable-modules=dimred . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list. |
This is used to output the projection calculated by principle component analysis
- The data to analyze can be the output from another analysis algorithm
USE_OUTPUT_DATA_FROM | use the output of the analysis performed by this object as input to your new analysis object |
- Compulsory keywords
FILE | the name of the file to output to |
STRIDE | ( default=0 ) the frequency with which to perform the required analysis and to output the data. The default value of 0 tells plumed to use all the data |
- Options
SERIAL | ( default=off ) do the calculation in serial. Do not use MPI |
LOWMEM | ( default=off ) lower the memory requirements
|
FMT | the format to use in the output file |
- Examples