Project ID: plumID:19.075
Source: regtest/pycv/rt-2/plumed.dat
Originally used with PLUMED version: 2.5.2-mod
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
cv1:  
PYTHONCV
This action is not part of PLUMED and was included by using a LOAD command More details
ATOMS=1,4 IMPORT=distcv FUNCTION=cv cv1a:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=1,4
RESTRAINT
Adds harmonic and/or linear restraints on one or more variables. More details
AT
the position of the restraint
=0
SLOPE
specifies that the restraint is linear and what the values of the force constants on each of the variables are
=-1
ARG
the arguments on which the bias is acting
=cv1
DUMPDERIVATIVES
Dump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More details
ARG
the input for this action is the scalar output from one or more other actions
=cv1
FILE
the name of the file on which to output the derivatives
=GRAD_cv1
FMT
the format with which the derivatives should be output
=%8.4f
DUMPDERIVATIVES
Dump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More details
ARG
the input for this action is the scalar output from one or more other actions
=cv1a
FILE
the name of the file on which to output the derivatives
=GRAD_cv1a
FMT
the format with which the derivatives should be output
=%8.4f
PRINT
Print quantities to a file. More details
FILE
the name of the file on which to output these quantities
=colvar.out
ARG
the input for this action is the scalar output from one or more other actions