I am not sure if there is an explanation for carbon nanotubes, yet i don’t see any special_bonds command in your input files, which is crucial for at least class2 forcefields, as far as i know.
I am not sure if there is an explanation for carbon nanotubes, yet i don’t see any special_bonds command in your input files, which is crucial for at least class2 forcefields, as far as i know.