Project ID: plumID:21.032
Source: plumed_PB_WTMetad.dat
Originally used with PLUMED version: 2.6
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr


UNITS LENGTH=A ENERGY=kcal/mol 
WHOLEMOLECULES ENTITY0=1-774 STRIDE=1


GROUP ATOMS=67,88,243,292 LABEL=comCysZn69

GROUP ATOMS=152,88,324,173 LABEL=comCysZn68
GROUP ATOMS=211,292,359,173 LABEL=comCysZn67
GROUP ATOMS=465,455,628,434 LABEL=comCysZn66
GROUP ATOMS=512,554,465,761 LABEL=comCysZn65
GROUP ATOMS=599,424,434,554 LABEL=comCysZn64
GROUP ATOMS=751,761,730,628 LABEL=comCysZn63



zn69:  COORDINATION GROUPA=781 GROUPB=comCysZn69 R_0=3.5  NLIST NL_CUTOFF=8 NL_STRIDE=100
zn68:  COORDINATION GROUPA=780 GROUPB=comCysZn68 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100 
zn67:  COORDINATION GROUPA=779 GROUPB=comCysZn67 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100 
zn66:  COORDINATION GROUPA=778  GROUPB=comCysZn66 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100 
zn65:  COORDINATION GROUPA=777 GROUPB=comCysZn65 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100 
zn64:  COORDINATION GROUPA=776 GROUPB=comCysZn64 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100 
zn63:  COORDINATION GROUPA=775  GROUPB=comCysZn63 R_0=3.5 NLIST NL_CUTOFF=8 NL_STRIDE=100  


PBMETAD ...
ARG=zn69,zn68,zn67,zn66,zn65,zn64,zn63
PACE=500 BIASFACTOR=18.0 HEIGHT=0.6 TEMP=300.0
INTERVAL_MIN=0.4,0.4,0.4,0.4,0.4,0.4,0.4
INTERVAL_MAX=4,4,4,4,4,4,4
SIGMA=0.15,0.15,0.15,0.15,0.15,0.15,0.15
GRID_MIN=0,0,0,0,0,0,0
GRID_MAX=30,30,30,30,30,30,30
WALKERS_MPI
FILE=HILLS_69,HILLS_68,HILLS_67,HILLS_66,HILLS_65,HILLS_64,HILLS_63 LABEL=metad
... PBMETAD