Project ID: plumID:23.001
Source: EnhancedCoexistence/Liq-V/3-BiasedCoexistence/COEX_5000.0atm/245.0K/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.order.datfile to be included
# Target uniform distribution of the order parameter between 336 and 392 molecules # i.e. between 6 and 7 layers, each of 56 molecules umb1:ECV_UMBRELLAS_LINETarget a multiumbrella ensemble, by combining systems each with a parabolic bias potential at a different location. More detailsARG=refcv.morethan-1the input for this action is the scalar output from one or more other actionsTEMP=245.0temperatureCV_MIN=336.0the minimum of the CV range to be exploredCV_MAX=392.0the 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=2000how often the bias is updatedSTRIDE=1the frequency with which the forces due to the bias should be calculatedWALKERS_MPIswitch on MPI version of multiple walkersPrint 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