Project ID: plumID:22.042
Source: WT-T12_RUN2/plumed.dat
Originally used with PLUMED version: 2.7.3
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
tested onv2.9
tested onmaster
phi: 
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=64,66,68,78 psi:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=66,68,78,80
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
=phi,psi
PACE
the frequency for hill addition
=100
HEIGHT
the heights of the Gaussian hills
=0.5
SIGMA
the widths of the Gaussian hills
=0.1,0.1
BIASFACTOR
use well tempered metadynamics and use this bias factor
=15.0
FILE
a file in which the list of added hills is stored
=HILLS
GRID_MIN
the lower bounds for the grid
=-pi,-pi
GRID_MAX
the upper bounds for the grid
=pi,pi
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300
FMT
specify format for HILLS files (useful for decrease the number of digits in regtests)
=%14.6f ... METAD
PRINT
Print quantities to a file. More details
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
=100
FILE
the name of the file on which to output these quantities
=COLVAR