[gmx-users] pme-segmentation fault

[Juntao Guo]

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.

Thanks.

Juntao Guo