[lammps-users] MM3 or MM+ force field for carbon?


I am trying to simulate graphite using MM3 or MM+ force fields. Is this implemented in Lammps? If not, can I make this force field by assigning bond_coeff and everything required from my input script?

Thank you very much!


I don't know if the formulas for MM3,MM+ are implemented in LAMMPS.
You'll have to look at the bond,angle,etc doc pages for various styles and
see. If they are, then you can input the bond,angle,etc coeffs you want
and run a compatible problem from your input script. There is no
magic in LAMMPS to auto-assign a MM3 force field to a molecule.