PLUMED-NEST-TEST-SITE

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

enThe ENERGY action with label en calculates the following quantities:
 Quantity   
 Type   
 Description  
en
scalar
the internal energy: ENERGYCalculate the total potential energy of the simulation box. More details

METADUsed to performed metadynamics on one or more collective variables. More details ...
ARGthe labels of the scalars on which the bias will act=en
PACEthe frequency for hill addition=250 BIASFACTORuse well tempered metadynamics and use this bias factor=21.0 HEIGHTthe heights of the Gaussian hills=4.18 
SIGMAthe widths of the Gaussian hills=250
GRID_MINthe lower bounds for the grid=-300000.000000
GRID_MAXthe 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 potentialPRINTPrint quantities to a file. More details FILEthe name of the file on which to output these quantities=COLVAR ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=250