Hi,
We can't see your figure, but as you would see in the mdrun log file,
energy groups are not implemented for gpu runs. You can do mdrun -nb cpu
-rerun however
Mark
On Sun, 8 Jan 2017 07:23 Mijiddorj Batsaikhan wrote:
> Dear gmx users,
>
> I run 500 ns simulation using GPU. After simulation I made mdrun -rerun.
> Finally, I performed gmx energy analysis. Result looks unusual as a
> following figure. LJ Interaction between 2 groups.
>
>
>
> How is the figure? Is there any advice?
>
>
> Best regards,
>
> Mijiddorj
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