[gmx-users] pme-segmentation fault

[David]

On Mon, 2002-11-25 at 23:13, Juntao Guo wrote:
> Hi, everybody,
> 
>    I tried to do simulation of a protein in SPC. When I used cut-off for 
> coulombtype, everything was fine. However, when I tried to used the PME 
> method, I always got segemtation fault. Does anyone know what the problem is? 
> The system has 4 negative charges and I did not add any counterions to the 
> system. Is this the problem? The box I used is cubic.

>
This shouldn't happen. What gromacs version and hardware platform? Did
you compile FFTW correctly?

> Thanks.
> 
> Juntao Guo
> 
>  
> 
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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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