[gmx-users] LJ Interaction between 2 groups looks unusual
mark.j.abraham at gmail.com
Sun Jan 8 16:31:39 CET 2017
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
On Sun, 8 Jan 2017 07:23 Mijiddorj Batsaikhan <b.mijiddorj at gmail.com> 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,
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