echo both units real atom_style charge neighbor 2.0 nsq read_data data.txt mass 1 12.001 mass 2 14 velocity all create 300 123456 dist gaussian mom yes rot yes set group all type/fraction 2 0.1 123456 pair_style reax/c NULL pair_coeff * * ffield.reax C N fix 2 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c #Thermalization--------------------------------- fix 1 all nvt temp 300 300 100 timestep 1 thermo 100 thermo_style custom step temp dump 0 all atom 100 vmd-n.lammpstrj run 100000