[gmx-users] pme-segmentation fault
jguo at utk.edu
Mon Nov 25 23:13:13 CET 2002
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.
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