**Project ID:** plumID:22.008

**Source:** Ag6/T300/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

UNITSThis command sets the internal units for the code. More detailsLENGTH=Athe units of lengthsTIME=0.0101805the units of timeENERGY=96.4853329the units of energyc:COORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=1-6First list of atomsGROUPB=1-6Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=2.8The r_0 parameter of the switching functionr:GYRATIONCalculate the radius of gyration, or other properties related to it. More detailsATOMS=1-6the group of atoms that you are calculating the Gyration Tensor forrrot:COMBINECalculate a polynomial combination of a set of other variables. More detailsARG=the input to this functionc,rCOEFFICIENTS=0.07534,0.99715the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functioncrot:COMBINECalculate a polynomial combination of a set of other variables. More detailsARG=the input to this functionc,rCOEFFICIENTS=0.99715,-0.07534the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingrrotAT=3.3the positions of the wallKAPPA=50the force constant for the wallLOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingcrotAT=8the positions of the wallKAPPA=10the force constant for the wallMETADUsed 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 actionscrot,rrotSIGMA=0.3,0.03the widths of the Gaussian hillsHEIGHT=0.2the heights of the Gaussian hillsPACE=100the frequency for hill additionBIASFACTOR=50use well tempered metadynamics and use this bias factorFILE=HILLSa file in which the list of added hills is storedFLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More detailsSTRIDE=100the frequency with which all the open files should be flushed