Project ID: plumID:19.015
Source: surface/100_apolar/plumed_restart.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
#######IBU 309##########

#torsion1 between vector1 C2,C1 and axis C2,C10 and vector2 C10,C11 t1:
TORSION
Calculate a torsional angle. More details
VECTOR1
two atoms that define a vector
=10168,10167
AXIS
two atoms that define an axis
=10168,10176
VECTOR2
two atoms that define a vector
=10176,10177
#torsion2 between vector1 C10,C7 and axis C10,C11 and vector2 C11,C12 t2:
TORSION
Calculate a torsional angle. More details
VECTOR1
two atoms that define a vector
=10176,10173
AXIS
two atoms that define an axis
=10176,10177
VECTOR2
two atoms that define a vector
=10177,10178
#metadynamics
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
=t1,t2
SIGMA
the widths of the Gaussian hills
=0.1,0.1
HEIGHT
the heights of the Gaussian hills
=0.96
PACE
the frequency for hill addition
=500
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
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
GRID_MIN
the lower bounds for the grid
=-pi,-pi
GRID_MAX
the upper bounds for the grid
=pi,pi
GRID_BIN
the number of bins for the grid
=350,350 ... 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
=t1,t2,metad.bias
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