Hi @jalemkul. In my case, the molecule appears fine until the bonds are sorted usi g the perl script. Something goes wrong at when I upload it to CGenFF and the ligand is fragmented. Any clue as to what might be going wrong?
Hi @jalemkul. In my case, the molecule appears fine until the bonds are sorted usi g the perl script. Something goes wrong at when I upload it to CGenFF and the ligand is fragmented. Any clue as to what might be going wrong?