PLUMED-NEST

Project ID: plumID:19.062
Source: utilities/plumed.dat
Originally used with PLUMED version: 2.3
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

en: 
ENERGY
Calculate the total potential energy of the simulation box. More details

METAD
Used to performed metadynamics on one or more collective variables. More details
 ...
ARG
the input for this action is the scalar output from one or more other actions
=en
PACE
the frequency for hill addition
=250 
BIASFACTOR
use well tempered metadynamics and use this bias factor
=21.0 
HEIGHT
the heights of the Gaussian hills
=4.18 
SIGMA
the widths of the Gaussian hills
=250
GRID_MIN
the lower bounds for the grid
=-300000.000000
GRID_MAX
the upper bounds for the grid
=-200000.000000
FILE
 a file in which the list of added hills is stored
=HILLS
... METAD

#make STRIDE = to your exchange attempt frequency!!!
The METAD action with label  calculates the following quantities:
 Quantity   
 Description  
.bias
the instantaneous value of the bias potential
PRINT
Print quantities to a file. More details
 
FILE
the name of the file on which to output these quantities
=COLVAR 
ARG
the input for this action is the scalar output from one or more other actions
 
STRIDE
 the frequency with which the quantities of interest should be output
=250