# patchy Buckyball test units lj atom_style bond read_data data.bucky neighbor 0.4 bin neigh_modify every 1 delay 1 mass 1 1.0 mass 2 1.0 mass 3 1.0 neigh_modify exclude molecule all thermo 100 timestep 0.012 pair_style lj/cut 1.12 pair_coeff * * 1.0 1.0 1.12 pair_coeff * 3 0.0 1.0 1.12 pair_coeff 2 2 1.0 1.0 2.5 dump 1 all atom 10000 tmp.dump dump_modify 1 image yes fix 1 all rigid molecule fix 2 all langevin 0.5 0.5 1.0 904297 run 1000000