**Project ID:** plumID:23.016

**Source:** plumed_reweight_microsw_adr_bin.dat

**Originally used with PLUMED version:** 2.5.3

**Stable:** zipped raw stdout - zipped raw stderr - stderr

**Master:** zipped raw stdout - zipped raw stderr - stderr

#MOLINFO STRUCTURE=adr_bin_ref.pdbrbias:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=meta.rbiasthe values to read from the fileIGNORE_TIMEignore the time in the colvar filetm3-tm6_1:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the filetm3-tm6_1IGNORE_TIMEignore the time in the colvar filetm3-tm6_2:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the filetm3-tm6_2IGNORE_TIMEignore the time in the colvar fileNPxxY_i:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the fileNPxxY_iIGNORE_TIMEignore the time in the colvar fileyy:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the fileyyIGNORE_TIMEignore the time in the colvar filePIF_i:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the filePIF_iIGNORE_TIMEignore the time in the colvar filetm5:READRead quantities from a colvar file. This action has hidden defaults. More detailsFILE=COLVARthe name of the file from which to read these quantitiesVALUES=the values to read from the filetm5IGNORE_TIMEignore the time in the colvar filebias:REWEIGHT_METADCalculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. This action has hidden defaults. More detailsTEMP=310the system temperatureHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. This action is a shortcut and it has hidden defaults. More detailsARG=the quantity that is being averagedtm3-tm6_1BANDWIDTH=0.015the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto5GRID_MIN=0.58the lower bounds for the gridGRID_MAX=1.78the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. This action is a shortcut and it has hidden defaults. More detailsARG=the quantity that is being averagedNPxxY_iBANDWIDTH=0.007the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto6GRID_MIN=0.146the lower bounds for the gridGRID_MAX=0.644the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. This action is a shortcut and it has hidden defaults. More detailsARG=the quantity that is being averagedPIF_iBANDWIDTH=0.01the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto7GRID_MIN=0.08the lower bounds for the gridGRID_MAX=0.674the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridARG=the quantity that is being averagedyyBANDWIDTH=0.03the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto9GRID_MIN=0.33the lower bounds for the gridGRID_MAX=1.78the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridARG=the quantity that is being averagedtm5BANDWIDTH=0.03the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto10GRID_MIN=0.73the lower bounds for the gridGRID_MAX=1.66the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridARG=the quantity that is being averagedtm3-tm6_2BANDWIDTH=0.015the bandwidths for kernel density esimtationLOGWEIGHTS=the logarithm of the quantity to use as the weights when calculating averagesbiasLABEL=a label for the action so that its output can be referenced in the input to other actionshisto13GRID_MIN=0.88the lower bounds for the gridGRID_MAX=2.19the upper bounds for the gridGRID_BIN=150 ...the number of bins for the gridff5:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo5TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff5FILE=mw_fes_adr_bin_tm3-tm6_1.datthe file on which to write the gridff6:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo6TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff6FILE=mw_fes_adr_bin_NPxxY.datthe file on which to write the gridff7:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo7TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff7FILE=mw_fes_adr_bin_PIF_i.datthe file on which to write the gridff9:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo9TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff9FILE=mw_fes_adr_bin_yy.datthe file on which to write the gridff10:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo10TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff10FILE=mw_fes_adr_bin_tm5.datthe file on which to write the gridff13:CONVERT_TO_FESConvert a histogram to a free energy surface. This action is a shortcut. More detailsGRID=the histogram that you would like to convert into a free energy surface (old syntax)histo13TEMP=310the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=the grid you would like to print (can also use ARG for specifying what is being printed)ff13FILE=mw_fes_adr_bin_tm3-tm6_2.datthe file on which to write the grid