PLUMED-NEST

Project ID: plumID:19.071
Source: MFI_paper_scripts/reweighting/plumed_FB.dat
Originally used with PLUMED version: 2.4
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

p: READRead quantities from a colvar file. More details  FILEthe name of the file from which to read these quantities=./position  VALUESthe values to read from the file=p.x IGNORE_FORCES use this flag if the forces added by any bias can be safely ignored IGNORE_TIME ignore the time in the colvar file

The READ action with label p calculates the following quantities:
 Quantity   
 Description  
p..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsMETADUsed to performed metadynamics on one or more collective variables. More details ... 
ARGthe labels of the scalars on which the bias will act=p.x
SIGMAthe widths of the Gaussian hills=0.05 
HEIGHTthe heights of the Gaussian hills=0.1 
PACEthe frequency for hill addition=500 
BIASFACTORuse well tempered metadynamics and use this bias factor=5 
LABELa label for the action so that its output can be referenced in the input to other actions=metad 
TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=120
GRID_MINthe lower bounds for the grid=-2.7
GRID_MAXthe upper bounds for the grid=2.7
GRID_BINthe number of bins for the grid=500
GRID_WSTRIDEwrite the grid to a file every N steps=100000
GRID_WFILEthe file on which to write the grid=grid.dat
... METAD
The METAD action with label metad calculates the following quantities:
 Quantity   
 Description  
metad.bias
the instantaneous value of the bias potential