Hi,

I am looking for a tool that optimizes the hydrogen-bond positioning in a protein-ligand complex without torsional or translational changes to the ligand or the protein residues.

Does anyone know about such a tool by chance?

It might sound a little bit weird, but I have an application where this might be useful in an evaluation of docking results and scoring functions without changing the heavy atom RMSD, but removing/minimizing vdW collisions between protein and ligand due to hydrogen atoms.