[gmx-users] pme-segmentation fault
spoel at xray.bmc.uu.se
Tue Nov 26 07:16:48 CET 2002
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?
> Juntao Guo
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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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