VMD-L Mailing List

From: Smith, Harper E. (smith.12510_at_buckeyemail.osu.edu)
Date: Tue Dec 29 2020 - 16:03:51 CST

Hi mailing list,

Is there a way I could parameterize ADP-ribosylated arginine (preferably in CHARMM)? I have seen tutorials for parameterizing ligands, but this is more complicated since it will be a modification to a standard residue, right?

Could I get away with trying to combine ADP and arginine parameters by analogy? Any advice is appreciated!

Best,
Harper Smith