[gmx-users] PME error in gromacs-3.3.1
yuhuili at gmail.com
Thu Dec 14 23:55:56 CET 2006
I installed gromacs-3.3.1 recently and tested a system consisting only
thress water molecules. When I use coulombtype = Cut-off, it works well, but
if I use coulombtype = PME, there was a segmentation fault. I have checked
the maillist archives and found that some people had the same problem in
gromacs-3.3. From their instruction, the new pme.c file was tried and
pme_order = 4 was set, but the problem is still there. Do you have idea
about this problem?
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