[gmx-users] error in mdrun

[David van der Spoel]

On Wed, 2002-05-29 at 16:45, Luke Czapla wrote:
> 
> Hi all,
> 
>   I am trying to run a box with 8 very small peptides in it.  When I go to
> use mdrun (I processed this system using genconf to make a 2x2x2
> box of single peptide, then used pdb2gmx to generate a new topology), I
> get the following error:
> 
> Fatal error: ci = -2147483648 should be in 0 .. 335 [FILE nsgrid.c, LINE
> 210]
> 
> I'm using the latest version of GROMACS and have no idea why this would
> happen, it looks like a programming error.  Does anyone have any idea what
> causes this?  Thank you
Are you sure the peptide is in the box before running genconf? Otherise
it will be broken.


> sincerely,
> Luke
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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