log log.naphthalene-class1 units real atom_style full pair_style lj/cut/coul/cut 15.0 bond_style harmonic angle_style harmonic dihedral_style harmonic improper_style cvff read_data naphthalene-class1.data thermo_style multi minimize 0.0 0.0 100 1000 write_data naphthalene-class1.data2