Hello!

This is more of a question than an issue.

Let's say we want to simulate a protein-ligand complex. For the protein we use the Amber forcefield and for the ligand GAFF. However, the ligand is a little too "complicated" for the atomtypes parameterized in GAFF. So I wondered whether obtaining parameters with QuickFF (appropriate QM level of theory, fitting of the correct Amber style potentials, LJ parameters from GAFF) is a possibility here and whether these parameters can be considered compatible with the protein forcefield?

Thanks for any help

Greeting from France