log log.txt units real atom_style molecular lattice sc 5.5 region box block 0 10 0 10 0 10 create_box 2 box bond/types 1 angle/types 1 extra/bond/per/atom 2 extra/angle/per/atom 1 extra/special/per/atom 2 molecule trimer trimer.txt create_atoms 0 region box mol trimer 12345 mass 1 1.00794 mass 2 15.998 pair_style zero 10.0 bond_style none angle_style none fix 1 all nve/limit 0.1 thermo 100 timestep 1.0 run 10000