[gmx-users] Error in production run

[Justin A. Lemkul]

On 6/13/12 12:21 PM, Malai wrote:
> Hi,
>
> Can you suggest me what went wrong in my production run . I got the following
> error that stopped my run. Thanks.
>

http://www.gromacs.org/Documentation/Terminology/Blowing_Up

-Justin

> -------------------------------------------------------
> Program mdrun_mpi, VERSION 4.5.4
> Source code file: domdec.c, line: 2861
>
> Fatal error:
> The X-size of the box (6.311743) times the triclinic skew factor (1.000000) is
> smaller than the number of DD cells (6) times the smallest allowed cell size
> (1.051861)
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
>

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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