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.pdb
rbias: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=meta.rbias IGNORE_TIME ignore the time in the colvar file tm3-tm6_1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=tm3-tm6_1 IGNORE_TIME ignore the time in the colvar file tm3-tm6_2: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=tm3-tm6_2 IGNORE_TIME ignore the time in the colvar file NPxxY_i: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=NPxxY_i IGNORE_TIME ignore the time in the colvar file yy: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=yy IGNORE_TIME ignore the time in the colvar file PIF_i: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=PIF_i IGNORE_TIME ignore the time in the colvar file tm5: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR VALUESthe values to read from the file=tm5 IGNORE_TIME ignore the time in the colvar file
bias: REWEIGHT_METADCalculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More details TEMPthe system temperature=310 HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=tm3-tm6_1 BANDWIDTHthe bandwidths for kernel density esimtation=0.015 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo5 GRID_MIN the lower bounds for the grid=0.58 GRID_MAX the upper bounds for the grid=1.78 GRID_BINthe number of bins for the grid=150 ...
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=NPxxY_i BANDWIDTHthe bandwidths for kernel density esimtation=0.007 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo6 GRID_MIN the lower bounds for the grid=0.146 GRID_MAX the upper bounds for the grid=0.644 GRID_BINthe number of bins for the grid=150 ...
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=PIF_i BANDWIDTHthe bandwidths for kernel density esimtation=0.01 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo7 GRID_MIN the lower bounds for the grid=0.08 GRID_MAX the upper bounds for the grid=0.674 GRID_BINthe number of bins for the grid=150 ...
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=yy BANDWIDTHthe bandwidths for kernel density esimtation=0.03 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo9 GRID_MIN the lower bounds for the grid=0.33 GRID_MAX the upper bounds for the grid=1.78 GRID_BINthe number of bins for the grid=150 ...
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=tm5 BANDWIDTHthe bandwidths for kernel density esimtation=0.03 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo10 GRID_MIN the lower bounds for the grid=0.73 GRID_MAX the upper bounds for the grid=1.66 GRID_BINthe number of bins for the grid=150 ...
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=tm3-tm6_2 BANDWIDTHthe bandwidths for kernel density esimtation=0.015 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias LABELa label for the action so that its output can be referenced in the input to other actions=histo13 GRID_MIN the lower bounds for the grid=0.88 GRID_MAX the upper bounds for the grid=2.19 GRID_BINthe number of bins for the grid=150 ...
ff5: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo5 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff5 FILE the file on which to write the grid=mw_fes_adr_bin_tm3-tm6_1.dat ff6: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo6 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff6 FILE the file on which to write the grid=mw_fes_adr_bin_NPxxY.dat ff7: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo7 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff7 FILE the file on which to write the grid=mw_fes_adr_bin_PIF_i.dat ff9: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo9 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff9 FILE the file on which to write the grid=mw_fes_adr_bin_yy.dat ff10: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo10 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff10 FILE the file on which to write the grid=mw_fes_adr_bin_tm5.dat ff13: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=histo13 TEMPthe temperature at which you are operating=310 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff13 FILE the file on which to write the grid=mw_fes_adr_bin_tm3-tm6_2.dat