[gmx-users] Buckingham Potentials and oplsaa

[ANAND AMITKUMAR DHARIA]

Hi all,

Thanks for the advice in advance. I want to simulate a titania nanotube
with a biomolecule using parameters described previously by Matsui-Akaogi
(1991) for titania. How do I add parameters for the buckingham potential
for my titanium and oxygen atoms?

Thanks,
Anand