On 15/03/2012 12:05 PM, Wholly Peach wrote:
Dear All,
For the gromacs 3.3.3 and gromacs 4.5.5, for regular protein molecular
dynamics simulation, will you please tell me the possible difference
on their calculated results?
In principle, not very much difference in results. Big differences in
speed in parallel. See
http://www.gromacs.org/About_Gromacs/Release_Notes for some details.
Mark
<http://www.gromacs.org/About_Gromacs/Release_Notes>
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