[gmx-users] Listed nonbonded interaction between particles beyond the table limit.

Mark Abraham mark.j.abraham at gmail.com
Sun Sep 10 13:18:49 CEST 2017


The trajectory is not reproducible. That it sometimes fails usually
suggests insufficient equilibration. That error message contains a link
that leads to advise about what to do to equilibrate systems better.

On Sun, 10 Sep 2017 04:15 Hoa Trinh <trinhlanhoa at gmail.com> wrote:

> Dear Gromacs experts,
> I do aware that this question has been repeated many times in the mailing
> list and I do go through all of answers. However, I still cannot find the
> answer for my problem.
> When I run on single node on my laptop, the simulation goes well and the
> warning does not appear. When I run on single node on a cluster, the
> warning appears but the simulation keep running. When I run on many nodes,
> the warning appears and the simulation stops.
> If my initial system is unstable, the simulation should blow up and the
> warning should appear when I run on my laptop. So what is the reason?
> I am looking forward to hearing from you.
> Thank you very much in advance.
> Best regards,
> *Lan Hoa*
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