variable newton_pair index on variable newton_bond index on variable bond_factor index 0.10 variable angle_factor index 0.25 variable dihedral_factor index 0.50 variable units index real variable input_dir index . variable data_file index ${input_dir}/data.fourmol variable pair_style index 'zero 8.0' variable bond_style index zero variable angle_style index zero variable dihedral_style index zero variable improper_style index zero variable t_target index 100.0 atom_style full atom_modify map array neigh_modify delay 2 every 2 check no units ${units} timestep 0.1 newton ${newton_pair} ${newton_bond} special_bonds lj/coul ${bond_factor} ${angle_factor} ${dihedral_factor} pair_style ${pair_style} bond_style ${bond_style} angle_style ${angle_style} dihedral_style ${dihedral_style} improper_style ${improper_style} read_data ${data_file}