			# Created by charmm2lammps v1.9.1 on Wed Oct 5 18:08:55 EDT 2016
			# Command: charmm2lammps.pl -water -ions -border=2.0 all36_prot 1gb1

			units real
			neigh_modify delay 2 every 1

			atom_style full
			bond_style harmonic
			angle_style charmm
			dihedral_style charmm
			improper_style harmonic

			pair_style lj/charmm/coul/long 8 12
			pair_modify mix arithmetic
			kspace_style pppm 1e-6

			read_data 1gb1.data

			special_bonds charmm
			thermo 10
			thermo_style multi
			timestep 1.0

			minimize 0.0 0.0 50 200

			reset_timestep 0
			fix 1 all nve
			fix 2 all shake 1e-6 500 0 m 1.0 a 112
			velocity all create 0.0 12345678 dist uniform

			restart 500 1gb1.restart1 1gb1.restart2
			dump 1 all atom 100 1gb1.dump
			dump_modify 1 image yes scale yes

			thermo 100
			run 1000

lammps/tools/ch2lmp/example-cmap/1gb1.in
326fdf2cf13amaster

1gb1.in
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