Project ID: plumID:19.040
Source: comet/metad_3d/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
tested onv2.9
tested onmaster
#RESTART

phi1:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=5,7,9,15 phi2:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=15,17,19,25 phi3:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=25,27,29,35
#cosphi1: MATHEVAL ARG=phi1 FUNC=0.5+cos(x-0.75) PERIODIC=NO #cosphi2: MATHEVAL ARG=phi2 FUNC=0.5+cos(x-0.75) PERIODIC=NO #cosphi3: MATHEVAL ARG=phi3 FUNC=0.5+cos(x-0.75) PERIODIC=NO
metad:
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
=phi1,phi2,phi3
PACE
the frequency for hill addition
=2000
HEIGHT
the heights of the Gaussian hills
=3
SIGMA
the widths of the Gaussian hills
=0.1,0.1,0.1
FILE
a file in which the list of added hills is stored
=HILLS
BIASFACTOR
use well tempered metadynamics and use this bias factor
=10.0
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300.0
PRINT
Print quantities to a file. More details
STRIDE
the frequency with which the quantities of interest should be output
=250
ARG
the input for this action is the scalar output from one or more other actions
=phi1,phi2,phi3,metad.bias
FILE
the name of the file on which to output these quantities
=COLVAR
ENDPLUMED
Terminate plumed input. More details