I am trying to use Magnesium acetate [Mg(CH3COO)2] as the salt instead of Sodium chloride [NaCl] in my tleap. Are there any AMBER parameters for acetate ion that I can use?
The AMBER force field parameters for acetate ion can be derived from the side chain of aspartate (CB, HB1, HB2, HB3, CG, OD1, OD2) by adjusting the partial atomic charges of CB, OD1, and OD2.