Project ID: plumID:20.023
Source: 3D/plumed.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
phi:TORSIONCalculate a torsional angle. More detailsATOMS=5,7,9,15 psi:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=7,9,15,17 omega:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=9,15,17,19 metad:the four atoms involved in the torsional angleMETADUsed to performed metadynamics on one or more collective variables. More detailsARG=phi,psi,omegathe input for this action is the scalar output from one or more other actionsPACE=500the frequency for hill additionHEIGHT=1.0the heights of the Gaussian hillsSIGMA=0.3,0.3,0.3the widths of the Gaussian hillsBIASFACTOR=10.0use well tempered metadynamics and use this bias factorTEMP=300.0the system temperature - this is only needed if you are doing well-tempered metadynamicsFILE=HILLSa file in which the list of added hills is storedPrint quantities to a file. More detailsSTRIDE=100the frequency with which the quantities of interest should be outputARG=phi,psi,omega,metad.biasthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantities