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

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

phi: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15 psi: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17 opes: OPES_METADOn-the-fly probability enhanced sampling with metadynamics-like target distribution. This action has hidden defaults. More details ... ARGthe labels of the scalars on which the bias will act=phi,psi PACEthe frequency for kernel deposition=500 BARRIERthe free energy barrier to be overcome=30 NLIST use neighbor list for kernels summation, faster but experimental STATE_WFILEwrite to this file the compressed kernels and all the info needed to RESTART the simulation=STATE STATE_WSTRIDEnumber of MD steps between writing the STATE_WFILE=500*100 STORE_STATES append to STATE_WFILE instead of ovewriting it each time ...
PRINTPrint quantities to a file. More details FMTthe format that should be used to output real numbers=%g STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=COLVAR ARGthe labels of the values that you would like to print to the file=phi,psi,opes.* ENDPLUMEDTerminate plumed input. More details run with: ../queue_gromacs.sh