Project ID: plumID:21.023
Source: Data-mb/mb-wtm-bf3/plumed.dat
Originally used with PLUMED version: 2.7
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=./MuellerBrown-Potential.datfile to be includedMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=mtda label for the action so that its output can be referenced in the input to other actionsARG=p.x,p.ythe input for this action is the scalar output from one or more other actionsPACE=100the frequency for hill additionSIGMA=0.1,0.1the widths of the Gaussian hillsHEIGHT=1.5the heights of the Gaussian hillsTEMP=1the system temperature - this is only needed if you are doing well-tempered metadynamicsBIASFACTOR=3use well tempered metadynamics and use this bias factorGRID_MIN=-5,-5the lower bounds for the gridGRID_MAX=5,5the upper bounds for the gridGRID_BIN=500,500the number of bins for the gridCALC_RCTcalculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]RCT_USTRIDE=1 ... METADthe update stride for calculating the $c(t)$ reweighting factor
w:REWEIGHT_METADCalculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More detailsTEMP=1the system temperaturePrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsFILE=colvar.datathe name of the file on which to output these quantitiesSTRIDE=200the frequency with which the quantities of interest should be output