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! -- Yuhui
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