Project ID: plumID:23.003
Source: Case_2/Prep/torsion_MetaD/plumed.dat
Originally used with PLUMED version: 2.8
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
theta: 
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=1,2,3,4
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
=theta
SIGMA
the widths of the Gaussian hills
=0.5
HEIGHT
the heights of the Gaussian hills
=2.4777090399459767 # kJ/mol
PACE
the frequency for hill addition
=500 # should be nstexpanded
GRID_MIN
the lower bounds for the grid
=-pi
GRID_MAX
the upper bounds for the grid
=pi
GRID_BIN
the number of bins for the grid
=100
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=298
BIASFACTOR
use well tempered metadynamics and use this bias factor
=10
LABEL
a label for the action so that its output can be referenced in the input to other actions
=metad
FILE
a file in which the list of added hills is stored
=HILLS ... METAD
PRINT
Print quantities to a file. More details
STRIDE
the frequency with which the quantities of interest should be output
=10
ARG
the input for this action is the scalar output from one or more other actions
=theta,metad.bias
FILE
the name of the file on which to output these quantities
=COLVAR