			# Created by charmm2lammps v1.8.2.6 beta on Thu Mar 3 20:56:57 EST 2016

			units real
			neigh_modify delay 2 every 1
			#newton off

			boundary p p p

			atom_style full
			bond_style harmonic
			angle_style charmm
			dihedral_style charmm
			improper_style harmonic

			pair_style lj/charmm/coul/charmm 8 12
			#pair_style lj/charmmfsw/coul/charmmfsh 8 12
			pair_modify mix arithmetic

			fix cmap all cmap charmm22.cmap
			fix_modify cmap energy yes

			read_data gagg.data fix cmap crossterm CMAP

			special_bonds charmm
			fix 1 all nve

			#fix 1 all nvt temp 300 300 100.0
			#fix 2 all shake 1e-9 500 0 m 1.0

			velocity all create 0.0 12345678 dist uniform

			thermo 1000
			thermo_style custom step ecoul evdwl ebond eangle edihed f_cmap eimp
			timestep 2.0

			run 100000

lammps/examples/cmap/in.cmap
4a3091f844eflammm-devel

in.cmap
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