Project ID: plumID:23.004
Source: BiasedCoexistence/IceIII/3-production/IceIII-270.0-3000.0/plumed.equil.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 onv2.10
tested onmaster
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

ENVIRONMENTSIMILARITYMeasure 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 ... SPECIESthis keyword is used for colvars such as coordination number=1-1944:3 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=0.604 D_MAX=0.972} ... ENVIRONMENTSIMILARITY
# Restraint lwall: LOWER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=refcv.morethan ATthe positions of the wall=324. KAPPAthe force constant for the wall=1.0 EXP the powers for the walls=2 STRIDEthe frequency with which the forces due to the bias should be calculated=5 uwall: UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=refcv.morethan ATthe positions of the wall=378. KAPPAthe force constant for the wall=1.0 EXP the powers for the walls=2 STRIDEthe frequency with which the forces due to the bias should be calculated=5 ENVIRONMENTSIMILARITYMeasure 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 ... SPECIESthis keyword is used for colvars such as coordination number=1-1944:3 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=refcv2 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=0.763000 D_MAX=0.763001} ... ENVIRONMENTSIMILARITY
PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=500 ARGthe labels of the values that you would like to print to the file=* FILEthe name of the file on which to output these quantities=COLVAR.EQUIL