Project ID: plumID:20.020
Source: plumed.dat
Originally used with PLUMED version: 2.2
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 onv2.9
tested onmaster
# include definition of CVs
INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
FILE
file to be included
=plumed_cv.dat

# Parallel-bias metadynamics
PBMETAD
Used to performed Parallel Bias metadynamics. More details
...
ARG
the input for this action is the scalar output from one or more other actions
=rg,hb,hc,helix,beta,dih
PACE
the frequency for hill addition, one for all biases
=500
BIASFACTOR
use well tempered metadynamics with this bias factor, one for all biases
=8.0
HEIGHT
the height of the Gaussian hills, one for all biases
=1.2
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300.0
SIGMA
the widths of the Gaussian hills
=0.01,0.6,0.3,0.4,0.3,0.6
GRID_MIN
the lower bounds for the grid
=0.4,0.0,0.0,0.0,0.0,0.0
GRID_MAX
the upper bounds for the grid
=2.0,100.0,25.0,40.0,40.0,40.0
FILE
files in which the lists of added hills are stored, default names are assigned using arguments if FILE is not found
=HILLS_rg,HILLS_hb,HILLS_hc,HILLS_helix,HILLS_beta,HILLS_dih
LABEL
a label for the action so that its output can be referenced in the input to other actions
=metad ... PBMETAD