Project ID: plumID:22.021
Source: IceII-Liquid/5-BiasedCoexistence/COEX_1000.0atm/250.0K/plumed.start.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=plumed.smooth.datfile to be included
umb1:ECV_UMBRELLAS_LINETarget a multiumbrella ensemble, by combining systems each with a parabolic bias potential at a different location. More detailsARG=refcv.morethanthe input for this action is the scalar output from one or more other actionsTEMP=250.0temperatureCV_MIN=378.0the minimum of the CV range to be exploredCV_MAX=486.0the maximum of the CV range to be exploredSIGMA=1sigma of the umbrella GaussiansBARRIER=50 opes:a guess of the free energy barrier to be overcome (better to stay higher than lower)OPES_EXPANDEDOn-the-fly probability enhanced sampling with expanded ensembles for the target distribution. More detailsARG=umb1the label of the ECVs that define the expansionPACE=500how often the bias is updatedSTRIDE=1the frequency with which the forces due to the bias should be calculatedWALKERS_MPIswitch on MPI version of multiple walkersINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=plumed.strict.datfile to be includedPrint quantities to a file. More detailsSTRIDE=500the frequency with which the quantities of interest should be outputARGthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantities