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
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======================================================================
Thomas Evangelidis
PhD student
Biomedical Research Foundation, Academy of Athens
4 Soranou Ephessiou , 115 27 Athens, Greece
email: tev...@bioacademy.gr
teva...@gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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