Project ID: plumID:20.005
Source: input_data/classical/reweighting/reweighting.dat
Originally used with PLUMED version: 2.5
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
p1: 
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../test_data/metad_data.dat
VALUES
the values to read from the file
=p1
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
metad:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../test_data/metad_data.dat
VALUES
the values to read from the file
=metad
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

weights:
REWEIGHT_METAD
Calculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More details
TEMP
the system temperature
=310.15
ARG
the biases that must be taken into account when reweighting
=metad.rbias
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantities that are being used to construct the histogram
=p1.s,p1.z
GRID_MIN
the lower bounds for the grid
=0,-0.2
GRID_MAX
the upper bounds for the grid
=12,0.3
GRID_BIN
the number of bins for the grid
=200,200
KERNEL
the kernel function you are using
=DISCRETE
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights
LABEL
a label for the action so that its output can be referenced in the input to other actions
=hD ... HISTOGRAM
ff:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hD
TEMP
the temperature at which you are operating
=310.15
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the 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
=rew_fes.dat
ENDPLUMED
Terminate plumed input. More details