[gmx-users] amber99sb in GROMACS vs amber99sb in AMBER

Thomas Evangelidis tevang3 at gmail.com
Mon Nov 21 20:53:01 CET 2011

Dear GROMACS 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
GROMACS and AMBER. 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 Evangelidis

PhD student

Biomedical Research Foundation, Academy of Athens

4 Soranou Ephessiou , 115 27 Athens, Greece

email: tevang at bioacademy.gr

          tevang3 at gmail.com

website: https://sites.google.com/site/thomasevangelidishomepage/
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