Project ID: plumID:19.067
Source: ache-pwf/plumed-biased.dat
Originally used with PLUMED version: 2.4
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
UNITS
This command sets the internal units for the code. More details
LENGTH
the units of lengths
=nm
TIME
the units of time
=ps
ENERGY
the units of energy
=kcal/mol
pwf:
PATHMSD
This Colvar calculates path collective variables. More details
REFERENCE
the pdb is needed to provide the various milestones
=pwf.pdb
LAMBDA
the lambda parameter is needed for smoothing, is in the units of plumed
=65
ls:
LOWER_WALLS
Defines a wall for the value of one or more collective variables, More details
ARG
the arguments on which the bias is acting
=pwf.sss
AT
the positions of the wall
=1.10
KAPPA
the force constant for the wall
=30000
EXP
the powers for the walls
=2
EPS
the values for s_i in the expression for a wall
=1
OFFSET
the offset for the start of the wall
=0 us:
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
ARG
the arguments on which the bias is acting
=pwf.sss
AT
the positions of the wall
=19.5
KAPPA
the force constant for the wall
=30000
EXP
the powers for the walls
=2
EPS
the values for s_i in the expression for a wall
=1
OFFSET
the offset for the start of the wall
=0 uz:
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
ARG
the arguments on which the bias is acting
=pwf.zzz
AT
the positions of the wall
=0.06
KAPPA
the force constant for the wall
=30000
EXP
the powers for the walls
=2
EPS
the values for s_i in the expression for a wall
=1
OFFSET
the offset for the start of the wall
=0
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
=meta
ARG
the input for this action is the scalar output from one or more other actions
=pwf.sss
ADAPTIVE
use a geometric (=GEOM) or diffusion (=DIFF) based hills width scheme
=DIFF
SIGMA
the widths of the Gaussian hills
=125
HEIGHT
the heights of the Gaussian hills
=2.0
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300
BIASFACTOR
use well tempered metadynamics and use this bias factor
=13
PACE
the frequency for hill addition
=125
GRID_MIN
the lower bounds for the grid
=0.5
GRID_MAX
the upper bounds for the grid
=20.5
GRID_BIN
the number of bins for the grid
=1000 ... 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
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_pwf
FMT
the format that should be used to output real numbers
=%12.8f