in.decane-oplsaa
0aa77408f808efficient_neuronet

in.decane-oplsaa
View Options

			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