Project ID: plumID:19.044
Source: MultithermalMultibaricSimulations/MultithermalMultibaric/Analysis/SampledDistribution/plumed.dat
Originally used with PLUMED version: 2.4-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.
energy:READRead quantities from a colvar file. More detailsFILE=../COLVARtrimthe name of the file from which to read these quantitiesVALUES=energy2the values to read from the fileIGNORE_TIMEvol:ignore the time in the colvar fileREADRead quantities from a colvar file. More detailsFILE=../COLVARtrimthe name of the file from which to read these quantitiesVALUES=volthe values to read from the fileIGNORE_TIMEignore the time in the colvar fileHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=energy,volthe quantity that is being averagedGRID_MIN=-15000,6.5the lower bounds for the gridGRID_MAX=-12500,8.5the upper bounds for the gridGRID_BIN=250,250the number of bins for the gridBANDWIDTH=50,0.1the bandwidths for kernel density esimtationNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh ... HISTOGRAMa label for the action so that its output can be referenced in the input to other actionsDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hhthe grid you would like to print (can also use ARG for specifying what is being printed)FILE=histothe file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%15.10f ff:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hhthe histogram that you would like to convert into a free energy surface (old syntax)TEMP=300.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ffthe grid you would like to print (can also use ARG for specifying what is being printed)FILE=festhe file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%15.10fthe format that should be used to output real numbersPrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantitiesSTRIDE=1the frequency with which the quantities of interest should be output