[gmx-developers] AMBER FF validation

[David Mobley]

Hi, all,

After discussion with Eric Sorin, behind the older ffAMBER ports for
GROMACS, I wanted to ask a couple quick questions concerning the AMBER FFs
(based on ffAMBER) now distributed with GROMACS:

1) Are the AMBER FF distributions currently being validated against the
corresponding forcefields in AMBER itself? (This was done for ffAMBER, on
which these ports are based, but we are unclear on whether anyone is
currently doing this)
2)  Who is behind the implementation of newer AMBER forcefields in the
GROMACS distribution, i.e. amber99sb-ildn? Have these been validated
against the corresponding forcefields in AMBER?
3) Are there any plans for continued incorporation of and maintenance of
any new AMBER forcefields into the distributions?

Eric Sorin and in discussion about validation, and may be interested in
validating these against the AMBER distribution if it is not already being
done.

Thanks so much for your help.

Sincerely,
David Mobley
Assistant Professor
Department of Pharmaceutical Sciences
University of California, Irvine

-- 
David Mobley
dmobley at gmail.com
504-383-3662
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