Project ID: plumID:22.003
Source: ala2/opes/plumed.dat
Originally used with PLUMED version: 2.8
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 angle
opes:OPES_METAD...On-the-fly probability enhanced sampling with metadynamics-like target distribution. More detailsARG=phi,psithe input for this action is the scalar output from one or more other actionsPACE=500the frequency for kernel depositionBARRIER=30the free energy barrier to be overcomeNLISTuse neighbor list for kernels summation, faster but experimentalSTATE_WFILE=STATEwrite to this file the compressed kernels and all the info needed to RESTART the simulationSTATE_WSTRIDE=500*100number of MD steps between writing the STATE_WFILESTORE_STATES...append to STATE_WFILE instead of ovewriting it each timePrint 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=COLVARthe name of the file on which to output these quantitiesARG=phi,psi,opesthe input for this action is the scalar output from one or more other actionsENDPLUMEDrun with: ../queue_gromacs.shTerminate plumed input. More details