Project ID: plumID:19.040
Source: comet/metad_2d/plumed.dat
Originally used with PLUMED version: 2.3
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
#RESTART
phi1 : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15 phi2 : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=15,17,19,25 phi3 : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=25,27,29,35 #cosphi1: MATHEVAL ARG=phi1 FUNC=0.5+cos(x-0.75) PERIODIC=NO #cosphi2: MATHEVAL ARG=phi2 FUNC=0.5+cos(x-0.75) PERIODIC=NO #cosphi3: MATHEVAL ARG=phi3 FUNC=0.5+cos(x-0.75) PERIODIC=NO
metad : METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=phi1,phi2 PACEthe frequency for hill addition=2000 HEIGHTthe heights of the Gaussian hills=3 SIGMAthe widths of the Gaussian hills=0.1,0.1 FILE a file in which the list of added hills is stored=HILLS BIASFACTORuse well tempered metadynamics and use this bias factor=10.0 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300.0 PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=250 ARGthe labels of the values that you would like to print to the file=phi1,phi2,phi3,metad.bias FILEthe name of the file on which to output these quantities=COLVAR ENDPLUMEDTerminate plumed input. More details