[gmx-users] energy groups/GPU and 4.6 vs 5.0

[Mark Abraham]

That should be run on the CPU - the decomposition required to do energy
groups on the GPU defeats the point of using the GPU, so it is not
implemented.

Mark
On Apr 4, 2014 11:31 AM, "michael.b" <mbx0009 at yahoo.com> wrote:

>
> thanks for the reply! ...
>
> to be precise i should add that when i say analyze i actually
> mean rerun 4.5.6 trajectories with mdrun-5.0-breta ...
>
> cheers
> michael
>
>
>
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