Dear Lammps users,
I am simulating SPC/E water confined between graphene sheets. When I do not assign any potential for carbon atoms of the graphene sheets and they are just fixed particles, there is no problem.
But when I assign them a Tersoff potential, I get an error; even if I do not integrate the equations for carbon atoms and they are still fixed particles.
Can we use a many-body potential with bonds, angles, etc.?
Thanks and regards,