Project ID: plumID:19.068
Source: ala4/plumed-metad.dat
Originally used with PLUMED version: 2.7
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.
phi1:TORSIONCalculate a torsional angle. More detailsATOMS=5,7,9,15 phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=15,17,19,25 phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=25,27,29,35 psi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=7,9,15,17 psi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=17,19,25,27 psi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=27,29,35,37the four atoms involved in the torsional angleMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metada label for the action so that its output can be referenced in the input to other actionsARG=phi1,phi2,phi3,psi1,psi2,psi3the input for this action is the scalar output from one or more other actionsFILE=Hills.dataa file in which the list of added hills is storedTEMP=300.0the system temperature - this is only needed if you are doing well-tempered metadynamicsPACE=500the frequency for hill additionHEIGHT=1.2the heights of the Gaussian hillsSIGMA=0.35,0.35,0.35,0.35,0.35,0.35the widths of the Gaussian hillsBIASFACTOR=10 ... METADuse well tempered metadynamics and use this bias factorPrint quantities to a file. More detailsFMT=%gthe format that should be used to output real numbersSTRIDE=50the frequency with which the quantities of interest should be outputFILE=Colvar.datathe name of the file on which to output these quantitiesARGthe input for this action is the scalar output from one or more other actionsENDPLUMEDTerminate plumed input. More details