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lammps/examples/USER/fep/CC-CO/mols/spce.ff
9dd1fd29b218lammm-master-deprecated

spce.ff
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			# SPC/E water (kJ/mol, A, deg)

			ATOMS
			# type m/uma q/e pot pars
			Ow Ow 15.999 -0.8476 lj 3.1655 0.6503
			Hw Hw 1.008 0.4238 lj 1.0000 0.0000

			BONDS
			# i j pot re/A ka/kJmol-1
			Ow Hw cons 1.000 4331.53

			ANGLES
			# i j k pot th/deg ka/kjmol-1
			Hw Ow Hw cons 109.47 317.57