Project ID: plumID:21.014
Source: PLUMED-NEST_chignolin/Part1_MetaD_PBMetaD/plumed_PB20.dat
Originally used with PLUMED version: 2.7
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

MOLINFO STRUCTURE=../template.pdb
WHOLEMOLECULES ENTITY0=1-166

psi1: TORSION ATOMS=@psi-1 NOPBC
phi2: TORSION ATOMS=@phi-2 NOPBC
psi2: TORSION ATOMS=@psi-2 NOPBC
phi3: TORSION ATOMS=@phi-3 NOPBC
psi3: TORSION ATOMS=@psi-3 NOPBC
phi4: TORSION ATOMS=@phi-4 NOPBC
psi4: TORSION ATOMS=@psi-4 NOPBC
phi5: TORSION ATOMS=@phi-5 NOPBC
psi5: TORSION ATOMS=@psi-5 NOPBC
phi6: TORSION ATOMS=@phi-6 NOPBC
psi6: TORSION ATOMS=@psi-6 NOPBC
phi7: TORSION ATOMS=@phi-7 NOPBC
psi7: TORSION ATOMS=@psi-7 NOPBC
phi8: TORSION ATOMS=@phi-8 NOPBC
psi8: TORSION ATOMS=@psi-8 NOPBC
phi9: TORSION ATOMS=@phi-9 NOPBC
psi9: TORSION ATOMS=@psi-9 NOPBC
phi10: TORSION ATOMS=@phi-10 NOPBC
rg: GYRATION ATOMS=@CA-1,@CA-2,@CA-3,@CA-4,@CA-5,@CA-6,@CA-7,@CA-8,@CA-9,@CA-10 NOPBC
hh: ANTIBETARMSD RESIDUES=all TYPE=DRMSD R_0=0.1 STRANDS_CUTOFF=1 NOPBC

mm: PBMETAD ... 
ARG=psi1,phi2,psi2,phi3,psi3,phi4,psi4,phi5,psi5,phi6,psi6,phi7,psi7,phi8,psi8,phi9,psi9,phi10,rg,hh 
SIGMA_MAX=0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6 
SIGMA_MIN=0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.004,0.02 
SIGMA=0.015 ADAPTIVE=GEOM 
GRID_MIN=-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,0.3,0 
GRID_MAX=pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,1.3,3 
HEIGHT=0.5 BIASFACTOR=10 PACE=200 
WALKERS_MPI 
FILE=../HILLS.psi1,../HILLS.phi2,../HILLS.psi2,../HILLS.phi3,../HILLS.psi3,../HILLS.phi4,../HILLS.psi4,../HILLS.phi5,../HILLS.psi5,../HILLS.phi6,../HILLS.psi6,../HILLS.phi7,../HILLS.psi7,../HILLS.phi8,../HILLS.psi8,../HILLS.phi9,../HILLS.psi9,../HILLS.phi10,../HILLS.rg,../HILLS.hh
GRID_WFILES=../GRID.psi1,../GRID.phi2,../GRID.psi2,../GRID.phi3,../GRID.psi3,../GRID.phi4,../GRID.psi4,../GRID.phi5,../GRID.psi5,../GRID.phi6,../GRID.psi6,../GRID.phi7,../GRID.psi7,../GRID.phi8,../GRID.psi8,../GRID.phi9,../GRID.psi9,../GRID.phi10,../GRID.rg,../GRID.hh
#GRID_RFILES=../GRID.psi1,../GRID.phi2,../GRID.psi2,../GRID.phi3,../GRID.psi3,../GRID.phi4,../GRID.psi4,../GRID.phi5,../GRID.psi5,../GRID.phi6,../GRID.psi6,../GRID.phi7,../GRID.psi7,../GRID.phi8,../GRID.psi8,../GRID.phi9,../GRID.psi9,../GRID.phi10,../GRID.rg,../GRID.hh
GRID_WSTRIDE=10000
...

PRINT ARG=psi1,phi2,psi2,phi3,psi3,phi4,psi4,phi5,psi5,phi6,psi6,phi7,psi7,phi8,psi8,phi9,psi9,phi10,rg,hh,mm.bias FILE=COLVAR STRIDE=1000