I am working for a gas adsorption calculation using sorption module in material studio. As an adsorbent I am using double layered doped graphene. But I need to get the Lennard-Jones potential and electrostatic interactions which were may be described by the atomic monopoles and distance dependent Coulombic term. Question is, how can I set it? Anybody can help me? Advance thanks for you all are participating in the discussion.

Keshab K. Adhikary