Project ID: plumID:21.021
Source: meta_inputs/meta_2d/plumed.dat
Originally used with PLUMED version: 2.7-mod
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 detailsNATURALd1:use natural unitsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,2the pair of atom that we are calculating the distance betweenCOMPONENTScalculate the x, y and z components of the distance separately and store them as label
ff:MATHEVALAn alias to the ef CUSTOM function. More detailsARG=d1.x,d1.ythe input to this functionVAR=x0,x1the names to give each of the arguments in the functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionFUNC=30.0*exp(-4.0*(x0-1)^2-4.0*(x1-1)^2)+30.0*exp(-4.0*(x0-1)^2-4.0*(x1+1)^2)+30.0*exp(-4.0*(x0+1)^2-4.0*(x1+1)^2)+30.0/(1.0/((5.0*x0+5.0)^2+(5.0*x1+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+1)+1.0/((-3.5355339059*x0+3.5355339059*x1)^2+(0.500000000834386*x0+0.500000000834386*x1)^8)+1.0/(1.0*x1^8+(5.0*x0-5.0)^2)+1.0/(1.0*x0^8+(5.0*x1+5.0)^2the function you wish to evaluate
bb:BIASVALUETakes the value of one variable and use it as a bias More detailsARG=ffthe input for this action is the scalar output from one or more other actions
mt:METAD...Used to performed metadynamics on one or more collective variables. More detailsARG=d1.x,d1.ythe input for this action is the scalar output from one or more other actionsPACE=500the frequency for hill additionGRID_MIN=-1.5,-1.5the lower bounds for the gridGRID_MAX=1.5,1.5the upper bounds for the gridGRID_BIN=600,600the number of bins for the gridHEIGHT=2.0the heights of the Gaussian hillsSIGMA=0.025,0.025the widths of the Gaussian hillsBIASFACTOR=10use well tempered metadynamics and use this bias factorTEMP=1the system temperature - this is only needed if you are doing well-tempered metadynamicsCALC_RCT...calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]DUMPATOMSDump selected atoms on a file. More detailsSTRIDE=500the frequency with which the atoms should be outputFILE=traj.xyzfile on which to output coordinates; extension is automatically detectedATOMS=1,2the atom indices whose positions you would like to print outPrint quantities to a file. More detailsARG=d1.x,d1.y,mt.bias,mt.rct,mt.rbiasthe input for this action is the scalar output from one or more other actionsFILE=rr.colvar_500the name of the file on which to output these quantitiesSTRIDE=500the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=d1.x,d1.y,bb.biasthe input for this action is the scalar output from one or more other actionsFILE=TRAJthe name of the file on which to output these quantitiesSTRIDE=500the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=d1.x,d1.y,mt.bias,mt.rct,mt.rbiasthe input for this action is the scalar output from one or more other actionsFILE=rr.colvar_50the name of the file on which to output these quantitiesSTRIDE=50the frequency with which the quantities of interest should be output
#PRINT ARG=d1.x,d1.y,mt.bias,mt.rct,mt.rbias FILE=rr.colvar_5 STRIDE=5