Date: Wed Dec 30 2020 - 01:15:40 CST

 You can use CHARMM-GUI also to search charmm library for your molecule, it can also show u a similar molecule available in charmm library, if at all it is available.;!!DZ3fjg!uL4ymKULNRdcg0qxz2qLVtp7cbFanc00z7ydnHFjbisnxVv0uOWhhSfNmt6Bv0vtLw$

From: <> on behalf of Smith, Harper E. <>
Sent: Wednesday, December 30, 2020 3:33 AM
To: VMD Mailing List <>
Subject: vmd-l: CHARMM parameters for ADP-ribosylated arginine?

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!

Harper Smith