[Question]

What coefficient is used for non bonding potential (6-12 Lennard-Jones potential) of free ions (Na+ and Cl-) in Universal Force Field (UFF)?

For ionic state, does it use the same parameter as bonded state?

[Simulation]

I want to simulate nano particle containing transition metal in water with free anion and cation so I have this kind of question.

[Original reference of UFF]

I have checked the original paper of UFF (A. K. Rappe et. al. J. Am. Chem. Soc.1992,114,10024-10039) and it looks basically assuming alkali group are charged in molecule and in the case of uncharged, it use other parameter appear in Table V.