Project ID: plumID:19.000
Source: sodium/plumed-metad.dat
Originally used with PLUMED version: 2.6-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
#SETTINGS NATOMS=250# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.LOADLoads a library, possibly defining new actions. More detailsFILE=DebyeStructureFactor.cppfile to be loadedUNITSThis command sets the internal units for the code. More detailsLENGTH=Athe units of lengths
ene:ENERGYcv:Calculate the total potential energy of the simulation box. More detailsDEBYE_STRUCTURE_FACTORCUTOFF=10.5 ACTIVE_Q=2.070595This action is not part of PLUMED and was included by using a LOAD command More detailsMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metada label for the action so that its output can be referenced in the input to other actionsARG=cvthe input for this action is the scalar output from one or more other actionsFILE=Hills.dataa file in which the list of added hills is storedTEMP=350the system temperature - this is only needed if you are doing well-tempered metadynamicsPACE=500the frequency for hill additionSIGMA=0.02the widths of the Gaussian hillsHEIGHT=10the heights of the Gaussian hillsBIASFACTOR=20use well tempered metadynamics and use this bias factorGRID_MIN=1.3the lower bounds for the gridGRID_MAX=2.8the upper bounds for the gridGRID_BIN=200the number of bins for the gridCALC_RCTcalculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]WALKERS_MPI... METADSwitch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIRPrint quantities to a file. More detailsSTRIDE=500the frequency with which the quantities of interest should be outputFMT=%gthe format that should be used to output real numbersFILE=Colvar.datathe name of the file on which to output these quantitiesARG=cv.*,ene,metad.bias,metad.rctthe input for this action is the scalar output from one or more other actionsENDPLUMEDTerminate plumed input. More details