Project ID: plumID:19.027
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=energythe 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=energythe input for this action is the scalar output from one or more other actionsGRID_MIN=-25000the lower bounds for the gridGRID_MAX=-23500the upper bounds for the gridGRID_BIN=1000 #KERNEL=DISCRETEthe number of bins for the gridBANDWIDTH=25 #LOGWEIGHTS=weightsMetad,weights300the bandwidths for kernel density estimationNORMALIZATION=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 action that creates the grid you would like to outputFILE=histoEnethe file on which to write the gridSTRIDE=5000the 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, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hhthe action that creates the input grid you would like to useTEMP=500.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ffthe action that creates the grid you would like to outputFILE=fesEnethe file on which to write the gridSTRIDE=5000the 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