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

From: Marc van der Kamp <marcvanderkamp.gmail.com>
Date: Sun, 1 Jun 2014 15:39:27 +0100


Is there any indication that a publication on FF12SB will be forthcoming?
(see e.g. http://archive.ambermd.org/201207/0049.html)
In May 2013, Carlos S. wrote "not yet, sorry" (
archive.ambermd.org/201305/0315.html), 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!

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Received on Sun Jun 01 2014 - 08:00:03 PDT
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