water_single.in
View Options

			units real
			neigh_modify delay 0 every 1 check yes
			atom_style full
			bond_style harmonic
			angle_style harmonic
			pair_style lj/cut/coul/cut 10.0
			pair_modify mix arithmetic
			kspace_style none
			special_bonds amber


			atom_modify sort 0 0

			read_data data.single_water

			timestep 1.



			dump 1 all xyz 1 dump.xyz

			thermo_style multi
			thermo 1
			thermo_modify flush yes



			fix 1 all qmmm

lammps/lib/qmmm/example-ec/mm-slave/water_single.in81879899299dlammm-devel