**Project ID:** plumID:22.003

**Source:** mueller/metad/plumed.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.UNITSThis command sets the internal units for the code. More detailsNATURALuse natural unitsp:POSITIONCalculate the components of the position of an atom. More detailsATOM=1the atom numbermueller:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=the input to this functionp.x,p.yPERIODIC=NO ...if the output of your function is periodic then you should specify the periodicity of the functionFUNC=0.15*(-200*exp(-(x-1)^2-10*y^2)-100*exp(-x^2-10*(y-0.5)^2)-170*exp(-6.5*(0.5+x)^2+11*(x+0.5)*(y-1.5)-6.5*(y-1.5)^2)+15*exp(0.7*(1+x)^2+0.6*(x+1)*(y-1)+0.7*(y-1)^2)+146.7 ...the function you wish to evaluatepotential:BIASVALUETakes the value of one variable and use it as a bias More detailsARG=the input for this action is the scalar output from one or more other actionsmuellerlwall:LOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingp.xKAPPA=1000the force constant for the wallAT=-1.3the positions of the walluwall:UPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingp.xKAPPA=1000the force constant for the wallAT=+1.0the positions of the wallmetad:METAD...Used to performed metadynamics on one or more collective variables. More detailsARG=the input for this action is the scalar output from one or more other actionsp.xPACE=500the frequency for hill additionHEIGHT=1the heights of the Gaussian hillsSIGMA=0.1the widths of the Gaussian hillsBIASFACTOR=20use well tempered metadynamics and use this bias factorGRID_MIN=-2the lower bounds for the gridGRID_MAX=2the upper bounds for the gridGRID_BIN=200the number of bins for the gridCALC_MAX_BIASSet to TRUE if you want to compute the maximum of the metadynamics V(s, t)CALC_RCT...calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]Print quantities to a file. More detailsFMT=%gthe format that should be used to output real numbersSTRIDE=500the frequency with which the quantities of interest should be outputFILE=COLVARthe name of the file on which to output these quantitiesARG=the input for this action is the scalar output from one or more other actionsp.x,p.y,mueller,metadENDPLUMEDrun with: mkdir $i ../../queue_md.i.sh $i or ../loop_all.shTerminate plumed input. More details