Project ID: plumID:19.081
Source: Na/02_References/Example/Reweight/plumed.dat
Originally used with PLUMED version: 2.6-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

refcv: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=refcv.morethan IGNORE_TIME ignore the time in the colvar file b1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=b1.bias IGNORE_TIME ignore the time in the colvar file uwall: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=uwall.bias IGNORE_TIME ignore the time in the colvar file
bias: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=350.0 ARG the biases that must be taken into account when reweighting=b1.bias,uwall.bias HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LABELa label for the action so that its output can be referenced in the input to other actions=hh LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=bias STRIDE the frequency with which to store data for averaging=1 CLEAR the frequency with whihc to clear the data that is being averaged=5000 ... HISTOGRAM
ff: 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)=hh TEMPthe temperature at which you are operating=350.0 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)=ff FILE the file on which to write the grid=fes STRIDE the frequency with which the grid should be output to the file=5000 PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=1 ARGthe labels of the values that you would like to print to the file=* FILEthe name of the file on which to output these quantities=COLVAR