[gmx-users] Doubt about the Gromacs versions
bipinelmat at gmail.com
Fri Apr 26 08:11:18 CEST 2013
Thanks for your reply.
On Thu, Apr 25, 2013 at 7:18 PM, Richard Broadbent <
richard.broadbent09 at imperial.ac.uk> wrote:
> 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).
> On 25/04/13 14:39, bipin singh wrote:
>> 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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Thanks and Regards,
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