Re: [AMBER] Amber99SB force field

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Thu, 28 May 2020 13:56:08 +0000

Wasn't this a known problem with ff94, that was already addressed in ff99SB?

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Gustavo Seabra
________________________________
From: Seketoulie Keretsu <sekekeretsu.gmail.com>
Sent: Thursday, May 28, 2020 8:51:12 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Amber99SB force field
Dear AMBER User,
During a protein interaction study, we were asked by reviewer to change
force field from Amber99SB to Charmm27 as the Charmm27 is likely to fix the
alpha helix better. From our literature, review we were of the impression
that both forcefields are fairly reasonable in representing protein
(non-membrane proteins) particularly in protein folding. Am i missing
something?
Would appreciate if you can give your opinion or reference to related work.
Thank you.
Sincerely,
Seke
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Received on Thu May 28 2020 - 07:00:02 PDT
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