GROMACS version: 2021
GROMACS modification: No
I would like to try some annealing on amorphos silica; in order to do so I either need a force field with triplets potential (which I rekon would be quite inefficient) or a pair potential that combines Buckingham and 18-6 Lennard-Jones.
Is it possible to do the latter in GROMACS, without recurring to tabulated potentials and/or to a 12-6 LJ approximation? I see I can define Buckingham parameters and combination rules, but I am not sure if (a) I can combine it with Lennard-Jones and (b) if I can define arbitrary powers for the repulsive part of LJ.