Project ID: plumID:19.047
Source: cyclo/normal/plumed_v2.dat
Originally used with PLUMED version: 2.5
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
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
ENTITY0
the atoms that make up a molecule that you wish to align
=1-24 p1:
PROPERTYMAP
Calculate generic property maps. More details
REFERENCE
the pdb is needed to provide the various milestones
=reference.pdb
PROPERTY
the property to be used in the indexing: this goes in the REMARK field of the reference
=S1,S2,S3
LAMBDA
the lambda parameter is needed for smoothing, is in the units of plumed
=300.0
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
=p1.S1,p1.S2,p1.S3
SIGMA
the widths of the Gaussian hills
=0.02,0.02,0.02
HEIGHT
the heights of the Gaussian hills
=0.2
PACE
the frequency for hill addition
=1000
LABEL
a label for the action so that its output can be referenced in the input to other actions
=restraint
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=p1.S1,p1.S2,p1.S3,p1.zzz,restraint.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
FMT
the format that should be used to output real numbers
=%8.4f