## Initialization units real dimension 3 boundary p p p atom_style full processors * * * pair_style lj/cut/coul/long 10 pair_modify mix arithmetic bond_style harmonic angle_style harmonic dihedral_style harmonic improper_style cvff special_bonds lj/coul 0 0 0 kspace_style ewald 0.0001 neighbor 0.2 bin neigh_modify delay 0 every 5 check yes read_data Otay-MMT_12x7.data write_data Initial2.data