in.decane-oplsaa
576c6315c7f1efficient_neuronet

in.decane-oplsaa
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			log log.decane-oplsaa
			units real
			atom_style full
			pair_style lj/cut/coul/cut 15.0
			bond_style harmonic
			angle_style harmonic
			dihedral_style opls

			read_data decane-oplsaa.data

			thermo_style multi
			minimize 0.0 0.0 100 1000

			write_data decane-oplsaa.data2