Project ID: plumID:23.001
Source: EnhancedCoexistence/Liq-III/5-BiasedCoexistence/COEX_2000.0atm/225.0K/plumed.order.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
#Minimum overlap for sigma = 0.065
#Liquid max: 0.535
#Ice max: 0.9625
#Midpoint between distribitions: 0.745


#Smooth counting of ice molecules
ENVIRONMENTSIMILARITY
Measure how similar the environment around atoms is to that found in some reference crystal structure. This action is a shortcut and it has hidden defaults. 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
=0.065
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
=refcv
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_THAN1
calculate the number of variables that are more than a certain target value
={CUBIC D_0=0.535 D_MAX=0.925}
MORE_THAN2
calculate the number of variables that are more than a certain target value
={CUBIC D_0=0.745000 D_MAX=0.745001}
MEAN
calculate the mean of all the quantities
... ENVIRONMENTSIMILARITY