The 4.6.1 release is a more advanced version of gromacs with the latest
kernels and features (GPU support, verlet cut-offs etc.).
4.5.7 is a maintenance release for those of us who for whatever reason
wish to keep using the older 4.5.x series release. It mainly adds fixes
made to the 4.6.x series to the 4.5.x version of the code. I use it as
most of my calculations were conducted in 4.5.5 so this version allows
me to use exactly the same setup as I was using before.
If you are starting a new project I would suggest that the 4.6.x series
is what you should use as it is substantially faster (for a system I'm
running that contains no water on an Intel sandy-bridge system it is
more than 50% faster). This series will also probably receive more
attention in terms of bug fixes and new releases (though I'm not a
developer so I could be wrong about that).
Richard
On 25/04/13 14:39, bipin singh wrote:
Hi,
Please let me know which one is the recent version of gromacs (with latest
bugfixes) among the below.
4.5.7 and 4.6.1
And what is the reason behind the update for 4.5.x versions if 4.6.x
versions are already available.
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