Project ID: plumID:19.068
Source: ala4/plumed-metad.dat
Originally used with PLUMED version: 2.7
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
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details.

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 psi1:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=7,9,15,17 psi2:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=17,19,25,27 psi3:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=27,29,35,37
METAD
Used to performed metadynamics on one or more collective variables. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=metad
ARG
the input for this action is the scalar output from one or more other actions
=phi1,phi2,phi3,psi1,psi2,psi3
FILE
a file in which the list of added hills is stored
=Hills.data
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300.0
PACE
the frequency for hill addition
=500
HEIGHT
the heights of the Gaussian hills
=1.2
SIGMA
the widths of the Gaussian hills
=0.35,0.35,0.35,0.35,0.35,0.35
BIASFACTOR
use well tempered metadynamics and use this bias factor
=10 ... METAD
PRINT
Print quantities to a file. More details
FMT
the format that should be used to output real numbers
=%g
STRIDE
the frequency with which the quantities of interest should be output
=50
FILE
the name of the file on which to output these quantities
=Colvar.data
ARG
the input for this action is the scalar output from one or more other actions

ENDPLUMED
Terminate plumed input. More details