Thank you. Ray. You are right I think. Do you think I use
"compute mtemp substrate temp
compute_modify mtemp dynamic yes
fix ID substrate nve
fix ID incidentatom nve
fix ID substrate langevin $T $T 100 587283 " commands to only give substrate a fix_langevin can discribe the oxidation process as real physical situation?
Thank you. Ray. You are right I think. Do you think I use
"compute mtemp substrate temp
compute_modify mtemp dynamic yes
fix ID substrate nve
fix ID incidentatom nve
fix ID substrate langevin $T $T 100 587283 " commands to only give substrate a fix_langevin can discribe the oxidation process as real physical situation?
In fact, the whole surface and the incident atoms should not be thermostated.