log log.solv-poly-class2c units real atom_style full pair_style lj/class2/coul/long 10.0 bond_style class2 angle_style class2 dihedral_style class2 improper_style class2 kspace_style pppm 1.0e-4 read_data solv-poly-class2c.data thermo_style multi minimize 0.0 0.0 100 1000 write_data solv-poly-class2c.data2