units metal atom_style molecular boundary p p f read_data data.data pair_style tersoff pair_coeff * * SiC.tersoff Si C timestep .1E-3 velocity all create 300.0 352839 group clump1 molecule <> 1 1 group c60 molecule <> 2 17 fix 2 c60 rigid molecule fix freeze clump1 setforce 0.0 0.0 0.0 thermo 100 dump 1 all xyz 50 dump.c60 thermo 50 restart 5000 tmp.restart run 50000 run_style verlet