# REAX potential for VOH system # ..... units real atom_style charge kim_style init Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_000 read_data data.VOH kim_style define H C O V neighbor 2 bin neigh_modify every 10 delay 0 check no fix 1 all nve fix 3 all temp/berendsen 500.0 500.0 100.0 timestep 0.25 #dump 1 all atom 30 dump.reax.voh run 300