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://upjv.q4md-forcefieldtools.org/RED/
....dac
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Received on Thu Dec 03 2020 - 06:00:04 PST
