Project ID: plumID:19.070
Source: plumed_nest_uucg/plumed.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr


MOLINFO STRUCTURE=2koc_gmx.pdb
WHOLEMOLECULES ENTITY0=1-447
e3: ERMSD ATOMS=@lcs-1,@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6,@lcs-7,@lcs-8,@lcs-9,@lcs-10,@lcs-11,@lcs-12,@lcs-13,@lcs-14  REFERENCE=2koc_gmx.pdb
ee3: ERMSD ATOMS=@lcs-1,@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6,@lcs-7,@lcs-8,@lcs-9,@lcs-10,@lcs-11,@lcs-12,@lcs-13,@lcs-14 REFERENCE=2koc_gmx.pdb CUTOFF=3.2
estem: ERMSD ATOMS=@lcs-1,@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-10,@lcs-11,@lcs-12,@lcs-13,@lcs-14 REFERENCE=2koc_gmx.pdb
eloop: ERMSD ATOMS=@lcs-5,@lcs-6,@lcs-7,@lcs-8,@lcs-9,@lcs-10 REFERENCE=2koc_gmx.pdb

r3: RMSD REFERENCE=2koc_gmx.pdb TYPE=OPTIMAL
zeta8: TORSION ATOMS=@zeta-8
delta8: TORSION ATOMS=@delta-8
dd: DISTANCE ATOMS=184,273

metad: METAD ARG=ee3 PACE=500 TAU=70 SIGMA=0.5 FILE=HILLS TEMP=278 BIASFACTOR=15 GRID_MIN=0 GRID_MAX=6.0 GRID_BIN=300

PRINT ARG=e3,ee3,estem,eloop,r3,zeta8,delta8,dd  FILE=colvar STRIDE=1000