Project ID: plumID:22.021
Source: IceIII-Liquid/5-BiasedCoexistence/COEX_2000.0atm/270.0K/plumed.strict.dat
Originally used with PLUMED version: 2.8
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
# Strict counting of molecules
ENVIRONMENTSIMILARITY
Measure how similar the environment around atoms is to that found in some reference crystal structure. More details
...
SPECIES
this keyword is used for colvars such as coordination number
=1-2268:3
SIGMA
the width to use for the gaussian kernels
=0.0675
CRYSTAL_STRUCTURE
Targeted crystal structure
=CUSTOM
LABEL
a label for the action so that its output can be referenced in the input to other actions
=refcv2
REFERENCE_1
PDB files with relative distances from central atom
=env1.pdb
REFERENCE_2
PDB files with relative distances from central atom
=env2.pdb
REFERENCE_3
PDB files with relative distances from central atom
=env3.pdb
REFERENCE_4
PDB files with relative distances from central atom
=env4.pdb
REFERENCE_5
PDB files with relative distances from central atom
=env5.pdb
REFERENCE_6
PDB files with relative distances from central atom
=env6.pdb
REFERENCE_7
PDB files with relative distances from central atom
=env7.pdb
REFERENCE_8
PDB files with relative distances from central atom
=env8.pdb
REFERENCE_9
PDB files with relative distances from central atom
=env9.pdb
REFERENCE_10
PDB files with relative distances from central atom
=env10.pdb
REFERENCE_11
PDB files with relative distances from central atom
=env11.pdb
REFERENCE_12
PDB files with relative distances from central atom
=env12.pdb
MORE_THAN
calculate the number of variables that are more than a certain target value
={CUBIC D_0=0.7675 D_MAX=0.7675001}
MEAN
calculate the mean of all the quantities
... ENVIRONMENTSIMILARITY