Project ID: plumID:22.042
Source: MT-A104V_RUN1/plumed.dat
Originally used with PLUMED version: 2.7.3
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
phiTORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=1402,1404,1406,1418 psi : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=1404,1406,1418,1420 METADUsed to performed metadynamics on one or more collective variables. More details ... ARGthe labels of the scalars on which the bias will act=phi,psi PACEthe frequency for hill addition=100 HEIGHTthe heights of the Gaussian hills=0.5 SIGMAthe widths of the Gaussian hills=0.1,0.1 BIASFACTORuse well tempered metadynamics and use this bias factor=15.0 FILE a file in which the list of added hills is stored=HILLS GRID_MINthe lower bounds for the grid=-pi,-pi GRID_MAXthe upper bounds for the grid=pi,pi TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 FMTspecify format for HILLS files (useful for decrease the number of digits in regtests)=%14.6f ... METAD:
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=100 FILEthe name of the file on which to output these quantities=COLVAR