1 # a variable named `cutoff` is required by GROMOS_54A7_ATB.lt 2 variable cutoff equal 14.0 # Angstroms 3 units real 4 atom_style full 5 bond_style harmonic 6 angle_style harmonic 7 dihedral_style harmonic 8 improper_style harmonic 9 pair_style lj/cut/coul/cut ${cutoff} 10 #pair_style lj/cut/coul/long ${cutoff} 11 special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 1.0 angle yes dihedral yes 12