Project ID: plumID:21.009
Source: nvt-committor/smd/plumed.inp
Originally used with PLUMED version: 2.6
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
=A
COORDINATIONNUMBER
Calculate the coordination numbers of atoms so that you can then calculate functions of the distribution of More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=coord
SPECIES
this keyword is used for colvars such as coordination number
=1-512
SWITCH
the switching function that it used in the construction of the contact matrix
={RATIONAL R_0=5.0 D_MAX=10.0}
MORE_THAN
calculate the number of variables that are more than a certain target value
={RATIONAL R_0=5.0 D_MAX=5.5}
LOWMEM
this flag does nothing and is present only to ensure back-compatibility
... COORDINATIONNUMBER
MOVINGRESTRAINT
Add a time-dependent, harmonic restraint on one or more variables. More details
...
ARG
the input for this action is the scalar output from one or more other actions
=coord.morethan
STEP0
This keyword appears multiple times as STEP $x $ with x=0,1,2,
=0
AT0
AT $x $ is equal to the position of the restraint at time STEP $x $
=0.0
KAPPA0
KAPPA $x $ is equal to the value of the force constants at time STEP $x $
=10.0
STEP1
This keyword appears multiple times as STEP $x $ with x=0,1,2,
=2000000
AT1
AT $x $ is equal to the position of the restraint at time STEP $x $
=24.0
KAPPA1
KAPPA $x $ is equal to the value of the force constants at time STEP $x $
=10.0 ... MOVINGRESTRAINT
FLUSH
This command instructs plumed to flush all the open files with a user specified frequency. More details
STRIDE
the frequency with which all the open files should be flushed
=200000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=coord.morethan
STRIDE
the frequency with which the quantities of interest should be output
=2000
FILE
the name of the file on which to output these quantities
=colvar