Project ID: plumID:20.015
Source: 3-ANALYSIS/3.1-ASSEMBLE-XTC/plumed_driver.dat
Originally used with PLUMED version: 2.6-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

# include topology info
MOLINFO STRUCTURE=../../0-TOPO/step5_charmm2gmx.pdb WHOLE

# define all atoms
prot: GROUP NDX_FILE=../../0-TOPO/index.ndx NDX_GROUP=PROT

# make protein whole
WHOLEMOLECULES ...
ADDREFERENCE
EMST
ENTITY0=1-6701
ENTITY1=6702-6741
... WHOLEMOLECULES

# PRINT ATOM POSITIONS
DUMPATOMS STRIDE=1 FILE=traj.gro ATOMS=prot