Project ID: plumID:19.067
Source: ache-pwf/plumed-biased.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
UNITSThis command sets the internal units for the code. More detailsLENGTH=nmthe units of lengthsTIME=psthe units of timeENERGY=kcal/molthe units of energy
pwf:PATHMSDThis Colvar calculates path collective variables. More detailsREFERENCE=pwf.pdbthe pdb is needed to provide the various milestonesLAMBDA=65the lambda parameter is needed for smoothing, is in the units of plumed
ls:LOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=pwf.sssthe arguments on which the bias is actingAT=1.10the positions of the wallKAPPA=30000the force constant for the wallEXP=2the powers for the wallsEPS=1the values for s_i in the expression for a wallOFFSET=0 us:the offset for the start of the wallUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=pwf.sssthe arguments on which the bias is actingAT=19.5the positions of the wallKAPPA=30000the force constant for the wallEXP=2the powers for the wallsEPS=1the values for s_i in the expression for a wallOFFSET=0 uz:the offset for the start of the wallUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=pwf.zzzthe arguments on which the bias is actingAT=0.06the positions of the wallKAPPA=30000the force constant for the wallEXP=2the powers for the wallsEPS=1the values for s_i in the expression for a wallOFFSET=0the offset for the start of the wallMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metaa label for the action so that its output can be referenced in the input to other actionsARG=pwf.sssthe input for this action is the scalar output from one or more other actionsADAPTIVE=DIFFuse a geometric (=GEOM) or diffusion (=DIFF) based hills width schemeSIGMA=125the widths of the Gaussian hillsHEIGHT=2.0the heights of the Gaussian hillsTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsBIASFACTOR=13use well tempered metadynamics and use this bias factorPACE=125the frequency for hill additionGRID_MIN=0.5the lower bounds for the gridGRID_MAX=20.5the upper bounds for the gridGRID_BIN=1000 ... METADthe number of bins for the gridPrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsSTRIDE=10the frequency with which the quantities of interest should be outputFILE=colvar_pwfthe name of the file on which to output these quantitiesFMT=%12.8fthe format that should be used to output real numbers