1ac7.in
f3e746d501d6lammm-master-deprecated

1ac7.in
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			# Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005

			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 10
			pair_modify mix arithmetic
			kspace_style pppm 1e-4

			read_data 1ac7.data

			special_bonds charmm
			fix 1 all nve
			fix 2 all shake 1e-6 500 0 m 1.0 a 93
			velocity all create 0.0 12345678 dist uniform

			thermo 1
			thermo_style multi
			timestep 0.5

			restart 10 1ac7.restart1 1ac7.restart2
			dump 1 all atom 10 1ac7.dump
			dump_modify 1 image yes scale yes

			run 20