[gmx-users] PME error in gromacs-3.3.1

Yuhui Li yuhuili at gmail.com
Thu Dec 14 23:55:56 CET 2006

Hi, all

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?

Thank you!

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20061214/87ffeec7/attachment.html>

More information about the gromacs.org_gmx-users mailing list