Project ID: plumID:22.003
Source: ala2/explore/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
opesOPES_METAD_EXPLORE...On-the-fly probability enhanced sampling with well-tempered target distribution in exploreation mode. This action has hidden defaults. More detailsARG=phi,psithe labels of the scalars on which the bias will actPACE=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 labels of the values that you would like to print to the fileENDPLUMEDrun with: ../queue_gromacs.shTerminate plumed input. More details