**Project ID:** plumID:19.040

**Source:** comet/sgoop/plumed.dat

**Originally used with PLUMED version:** 2.3

**Stable:** zipped raw stdout - zipped raw stderr - stderr

**Master:** zipped raw stdout - zipped raw stderr - stderr

phi1:TORSIONCalculate a torsional angle. More detailsATOMS=5,7,9,15the four atoms involved in the torsional anglepsi1:TORSIONCalculate a torsional angle. More detailsATOMS=7,9,15,17the four atoms involved in the torsional anglephi2:TORSIONCalculate a torsional angle. More detailsATOMS=15,17,19,25the four atoms involved in the torsional anglepsi2:TORSIONCalculate a torsional angle. More detailsATOMS=17,19,25,27the four atoms involved in the torsional anglephi3:TORSIONCalculate a torsional angle. More detailsATOMS=25,27,29,35the four atoms involved in the torsional anglepsi3:TORSIONCalculate a torsional angle. More detailsATOMS=27,29,35,37the four atoms involved in the torsional anglecosphi1:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=the input to this functionphi1FUNC=0.5+cos(x-1.25the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functioncospsi1:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=the input to this functionpsi1FUNC=0.5+cos(x-1.25the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functioncosphi2:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=the input to this functionphi2FUNC=0.5+cos(x-1.25the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functioncospsi2:ARG=the input to this functionpsi2FUNC=0.5+cos(x-1.25the function you wish to evaluateif the output of your function is periodic then you should specify the periodicity of the functioncosphi3:ARG=the input to this functionphi3FUNC=0.5+cos(x-1.25the function you wish to evaluateif the output of your function is periodic then you should specify the periodicity of the functioncospsi3:ARG=the input to this functionpsi3FUNC=0.5+cos(x-1.25the function you wish to evaluateif the output of your function is periodic then you should specify the periodicity of the functionmeta_coord:ARG=the input to this functioncosphi1,cospsi1,cosphi2,cospsi2,cosphi3,cospsi3VAR=c1,c2,c3,c4,c5,c6the names to give each of the arguments in the functionFUNC=0.62*c1+0.12*c2+0.57*c3+0.11*c4+0.51*c5+0.04*c6the function you wish to evaluateif the output of your function is periodic then you should specify the periodicity of the functionmetad:METADUsed 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 actionsmeta_coordPACE=500the frequency for hill additionHEIGHT=1.5the heights of the Gaussian hillsSIGMA=0.1the widths of the Gaussian hillsFILE=HILLSa file in which the list of added hills is storedBIASFACTOR=10.0use well tempered metadynamics and use this bias factorTEMP=300.0the system temperature - this is only needed if you are doing well-tempered metadynamicsPrint quantities to a file. More detailsSTRIDE=500the frequency with which the quantities of interest should be outputARG=the input for this action is the scalar output from one or more other actionsphi1,psi1,phi2,psi2,phi3,psi3,meta_coord,metad.biasFILE=COLVARthe name of the file on which to output these quantitiesENDPLUMEDTerminate plumed input. More details