[gmx-users] "Range checking error" issue

Mark Abraham Mark.Abraham at anu.edu.au
Thu May 24 16:01:37 CEST 2007

Matteo Guglielmi wrote:
> I did what you suggest and even more, I decreased the timestep to 0.001
> Well the problem doesn't go away.
> I've been reading mails from this discussion list... I'm not the only
> who's experiencing this kind of problem (ci variable range error)...
> actually few gmx users suggest it comes only from parallel runs which
> is my case BTW.

I've seen it most often when equilibration hasn't happened properly, but 
you'd think 1.5ns would be enough to avoid a crash.

> I'm running parallel runs on different clusters... it's happening
> everywhere.

Do serial runs do it?

Have you looked at your trajectory visually to see where things start 
going wrong?


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