## 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 extra/atom/types 11 extra/bond/types 13 extra/angle/types 25 extra/dihedral/types 32 extra/improper/types 3 extra/bond/per/atom 10 extra/angle/per/atom 10 extra/dihedral/per/atom 100 extra/improper/per/atom 10 read_data PAAS_Equ.data add append offset 9 2 3 0 0 shift 0 0 30 write_data Initial.data