From: Josh Vermaas (joshua.vermaas_at_gmail.com)
Date: Tue Dec 29 2020 - 18:28:59 CST

Before going down the cgenff route, you have checked that there no patches
in the stream files that specify the chemistry you want? I usually grep for
PRES to get a one line synopsis of what patches are available.

Josh

On Tue, Dec 29, 2020, 7:18 PM Aaron Oakley <aarono_at_uow.edu.au> wrote:

> "The CHARMM General Force Field (CGenFF) program performs atom typing and
> assignment of parameters and charges by analogy in a fully automated
> fashion.”
>
> https://urldefense.com/v3/__https://cgenff.umaryland.edu/__;!!DZ3fjg!sVITtPDLTPXAaIRg01795gQMjzVEj8BFrvidGZ7LE4WLVWnNVbwSmORrG492qDjA0A$
> <https://urldefense.com/v3/__https://cgenff.umaryland.edu/__;!!DZ3fjg!rN6OeQn994FaNGqktxoYeBrRy6Pd5YarloOotIaGVMkHQFmgFkRaQKHw7yHhcWJQFQ$>
>
>
> On 30 Dec 2020, at 9:03 am, Smith, Harper E. <
> smith.12510_at_buckeyemail.osu.edu> wrote:
>
> 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
>
>
>