Project ID: plumID:19.000
Source: alanine/plumed-ves.dat
Originally used with PLUMED version: 2.6-dev
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.
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=7,9,15,17the four atoms involved in the torsional angleVES_DELTA_F...Implementation of VES Delta F method More detailsLABEL=vesa label for the action so that its output can be referenced in the input to other actionsARG=psithe input for this action is the scalar output from one or more other actionsTEMP=300.0temperature is compulsory, but it can be sometimes fetched from the MD engineFILE_F0=fesB.datanames of files containing local free energies and derivativesFILE_F1=fesA.datanames of files containing local free energies and derivativesBIASFACTOR=10.0the gamma bias factor used for well-tempered target p(s)AV_STRIDE=500number of simulation steps between alpha updatesM_STEP=0.05the mu step used for the Omega functional minimizationPRINT_STRIDE=100stride for printing to ALPHA_FILEALPHA_FILE=Alpha.data ... VES_DELTA_Ffile name for output minimization parametersPrint quantities to a file. More detailsFMT=%gthe format that should be used to output real numbersSTRIDE=500the frequency with which the quantities of interest should be outputFILE=Colvar.datathe name of the file on which to output these quantitiesARG=phi,psi,ves.bias,ves.rct,ves.workthe input for this action is the scalar output from one or more other actionsENDPLUMEDTerminate plumed input. More details