in.tip4pf
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			units real
			atom_style gle # 6

			pair_style lj/cut/tip4p/long 1 2 1 1 0.14714951 8
			bond_style class2
			angle_style harmonic
			kspace_style pppm 0.0001

			read_data data.tip4pf
			pair_coeff * 2 0 0
			pair_coeff 1 1 0.1852 3.1589022

			#q-tip4pf bond parameters
			bond_coeff 1 0.9419 607.19354 -1388.6516 1852.577
			angle_coeff 1 43.93 107.4
			thermo 100
			thermo_style custom step temp pe ke etotal

			timestep 0.5

			dump snapxyz all atom 100 h2o.lammpstraj

			# some problem
			fix 1 all gle 6 smart.A 300 31415
			fix_modify 1 energy yes
			#fix 1 all nve

			run 10000

lammps/examples/USER/gle/in.tip4pf86d4432ff882lammm-devel