Hi Everyone,

I am interested in simulations of metallocenes in general Ferrocene like organometallic compounds. For parametrization of the ligand I will be using antechamber and amber utilities and for metal ff I have the ff parameters. My question is that do Gromacs support simulations of cp centroid, where metal cordination is present with the ring (see pic in attachment)? If yes, what is the atom types to be defined in gromacs/amber?

Any help/suggestions is appreciated.