Re: [AMBER] Terminal O5'/O3' for nucleosides in ff86?

From: Kenneth Huang <>
Date: Thu, 3 Dec 2020 17:02:47 +0000

Hi David,

Yeah, I knew it was a very, very long shot given how old those charges/papers are, but I'll inquire- thanks!


From: David A Case <>
Sent: Thursday, December 3, 2020 8:57 AM
To: AMBER Mailing List <>
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.;;sdata=io9UZXB0vmCwpunuegraYsEb44P9nFuTIzWaWrHIPIs%3D&amp;reserved=0


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