Hi David,
Yeah, I knew it was a very, very long shot given how old those charges/papers are, but I'll inquire- thanks!
Best,
Kenneth
________________________________
From: David A Case <david.case.rutgers.edu>
Sent: Thursday, December 3, 2020 8:57 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Terminal O5'/O3' for nucleosides in ff86?
On Wed, Dec 02, 2020, Kenneth Huang wrote:
>
>This might be something of a long shot since I'm digging deep into
>history here, but does anyone know how ff86 handles nucleosides? I'm
>doing an exercise to see how close I can feasibly get to the nucleoside
>charges in ff94 by Cieplak et al's paper....
I don't have an answer to your question, but you might ask at the R.E.D.
website. Francois spent a lot of time trying to reproduce the old
charges, and *might* have some insight here.
https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fupjv.q4md-forcefieldtools.org%2FRED%2F&data=04%7C01%7Ckhuang8%40student.gsu.edu%7C4a68afdfaacf468ead3108d897936e4b%7C704d822c358a47849a1649e20b75f941%7C0%7C0%7C637426006752996123%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=io9UZXB0vmCwpunuegraYsEb44P9nFuTIzWaWrHIPIs%3D&reserved=0
....dac
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Received on Thu Dec 03 2020 - 09:30:02 PST
