water_single.in
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			units real
			neigh_modify delay 0 every 1 check yes
			atom_style full
			bond_style harmonic
			angle_style harmonic
			pair_style lj/cut/coul/long 10.0
			pair_modify mix arithmetic
			kspace_style pppm 1e-4
			special_bonds amber

			#atom_modify sort 0.0 0

			read_data data.single_water

			timestep 1.0

			thermo_style multi
			thermo 1

			fix 1 all qmmm

lammps/lib/qmmm/example-mc/mm-slave/water_single.incbfb07e1a3d1lammm-master