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

[Mark Abraham]

On Apr 4, 2014 9:42 AM, "michael.b" <mbx0009 at yahoo.com> wrote:
>
>
> two questions:
>
> 1) searching this list if found this comment:
> "NOTE: With GPUs, reporting energy group contributions is not supported"
>
> this was true for version 4.6.1
> is it still the case for 4.6.5 and/or for 5.0-beta?

Yes, I think so.

> 2) if i use mdrun-5.0-beta to analzye trajectories produced with 4.6.5
> do i have to expect any kind of issues?

No. No analysis tool uses the GPU, and they just use whatever is on disk.

Mark

> thanks!
> michael
>
>
>
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