in.rigid-tip4p
82f7e17e1b07lammm-master-deprecated

in.rigid-tip4p
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			units real
			atom_style full
			dimension 3
			boundary p p p

			read_data data.rigid-tip4p

			pair_style lj/cut/coul/long 10.0
			kspace_style pppm 1.0e-4

			pair_coeff 1 1 0.2106 3.166
			pair_coeff * 2 0.0000 0.0000
			pair_coeff * 3 0.0000 0.0000

			fix 1 all rigid/nvt molecule temp 300.0 300.0 100.0

			neighbor 2.0 bin
			neigh_modify exclude type 1 2
			neigh_modify exclude type 1 3
			neigh_modify exclude molecule all
			neigh_modify delay 4 every 2 one 2048 page 204800

			timestep 0.5

			thermo_style custom step temp epair evdwl ecoul press
			thermo 10
			run 100