[AMBER] amber99sb in AMBER vs amber99sb in GROMACS or NAMD

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Mon, 21 Nov 2011 22:00:50 +0200

Dear AMBER users,

Is anyone aware of any benchmark analysis about the implementation of the
amber99sb force field (or any of its variants: 99sb-ildn, 99sb-nmr) in
AMBER and in GROMACS or NAMD? I am interested to know in what extend the
energies correlate and if the results agree with experimental data.
Differences in speed would be also interesting but of secondary importance.

thanks in advance.
Thomas

-- 
======================================================================
Thomas Evangelidis
PhD student
Biomedical Research Foundation, Academy of Athens
4 Soranou Ephessiou , 115 27 Athens, Greece
email: tevang.bioacademy.gr
          tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Mon Nov 21 2011 - 12:30:02 PST