Project ID: plumID:22.021
Source: IceIII-Liquid/5-BiasedCoexistence/COEX_2000.0atm/270.0K/plumed.smooth.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
#Smooth counting of ice molecules ENVIRONMENTSIMILARITYMeasure how similar the environment around atoms is to that found in some reference crystal structure. More details ... SPECIESthis 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 LABELa label for the action so that its output can be referenced in the input to other actions=refcv REFERENCE_1PDB files with relative distances from central atom=env1.pdb REFERENCE_2PDB files with relative distances from central atom=env2.pdb REFERENCE_3PDB files with relative distances from central atom=env3.pdb REFERENCE_4PDB files with relative distances from central atom=env4.pdb REFERENCE_5PDB files with relative distances from central atom=env5.pdb REFERENCE_6PDB files with relative distances from central atom=env6.pdb REFERENCE_7PDB files with relative distances from central atom=env7.pdb REFERENCE_8PDB files with relative distances from central atom=env8.pdb REFERENCE_9PDB files with relative distances from central atom=env9.pdb REFERENCE_10PDB files with relative distances from central atom=env10.pdb REFERENCE_11PDB files with relative distances from central atom=env11.pdb REFERENCE_12PDB files with relative distances from central atom=env12.pdb MORE_THANcalculate the number of variables that are more than a certain target value. Options for this keyword are explained in the documentation for MORE_THAN.={CUBIC D_0=0.6075 D_MAX=0.9675} MEAN calculate the mean of all the quantities ... ENVIRONMENTSIMILARITY