Hello!

I want to simulate a protein-ligand system using DiscoveryStudio 3.1, and I am operating on the PHBH-FAD complex as represented in the PDB structure 1PBE.

I have succeeded in producing a trajectory, but my question was about ligand parameterization. When I was setting up the dynamics, DS apparently "typed" everything (including the ligand) with the CHARMm force field. How is the FAD ligand being parameterized in this case? I ask because it seemed much "easier" than a parallel excercise I am doing in GROMACS. Are there specific ligand parameterization tools built into DS 3.1?

Best regards,

Alex