Re: [AMBER] FF12SB (and FF14?) - any benchmarks/evidence of its quality?

From: Hai Nguyen <>
Date: Sun, 1 Jun 2014 15:09:44 -0400

the paper is not coming out yet. But you can check AMBER14 manual
(page 30) to have a brief idea how 14SB ff is


On Sun, Jun 1, 2014 at 10:39 AM, Marc van der Kamp
<> wrote:
> Hi,
> Is there any indication that a publication on FF12SB will be forthcoming?
> (see e.g.
> In May 2013, Carlos S. wrote "not yet, sorry" (
>, but perhaps the situation has
> changed a year on?
> I understand the difficulty with publishing force-field papers.
> If no paper is expected soon, I would be interested in hearing about any
> tests/benchmarks that people may have done with FF12SB and/or FF14(SB).
> This would be greatly appreciated; For a while now, AMBER developers have
> recommended the use of FF12SB (Ross Walker did so again in a reply today).
> On the promise that FF12SB should be similar (if not better?) than
> FF99SB-ILDN (and that a paper was forthcoming) I've taken a 'leap of faith'
> and started using it in most projects some time ago. Now we are getting
> ready to publish work that is using FF12SB, I am somewhat anxious that
> there is no 'evidence' that I can point to that this FF was a suitable
> choice (or at least similar to FF99SB / FF99SB-ILDN.
> Many thanks in advance for any comments / experiences/ benchmark results!
> --Marc
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Received on Sun Jun 01 2014 - 12:30:02 PDT
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