Project ID: plumID:20.013
Source: fg/AceProOH/plumed.dat
Originally used with PLUMED version: 2.5
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
TORSIONCalculate a torsional angle. More detailsLABEL=omegaa label for the action so that its output can be referenced in the input to other actionsATOMS=1,5,7,17the four atoms involved in the torsional angleMETADUsed to performed metadynamics on one or more collective variables. More detailsARG=omegathe input for this action is the scalar output from one or more other actionsSIGMA=0.4the widths of the Gaussian hillsHEIGHT=4.5the heights of the Gaussian hillsPACE=1the frequency for hill additionWALKERS_MPISwitch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIRFLYING_GAUSSIANSwitch on flying Gaussian method, must be used with WALKERS_MPIFILE=HILLSa file in which the list of added hills is storedLABEL=restrainta label for the action so that its output can be referenced in the input to other actionsPrint quantities to a file. More detailsARG=omega,restraint.biasthe input for this action is the scalar output from one or more other actionsSTRIDE=10the frequency with which the quantities of interest should be outputFILE=COLVARthe name of the file on which to output these quantities