Project ID: plumID:20.013
Source: tifg/run1/plumed.dat
Originally used with PLUMED version: 2.5
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 onv2.8
tested onmaster
TORSION
Calculate a torsional angle. More details
LABEL
a label for the action so that its output can be referenced in the input to other actions
=omega
ATOMS
the four atoms involved in the torsional angle
=1,5,7,17
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
=omega
SIGMA
the widths of the Gaussian hills
=0.4
HEIGHT
the heights of the Gaussian hills
=4.5
PACE
the frequency for hill addition
=1
WALKERS_MPI
Switch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIR
FLYING_GAUSSIAN
Switch on flying Gaussian method, must be used with WALKERS_MPI
FILE
a file in which the list of added hills is stored
=HILLS
LABEL
a label for the action so that its output can be referenced in the input to other actions
=restraint
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=omega,restraint.bias
STRIDE
the frequency with which the quantities of interest should be output
=10
FILE
the name of the file on which to output these quantities
=COLVAR