Servus!
Meanwhile I found the solution for the gromacs-3.3 problem and there is
an ebuild with a patch for PME in bugzilla:
http://bugs.gentoo.org/show_bug.cgi?id=118421
Gromacs-3.3 seems to run now. I still have no idea why gromacs-3.2.1
didn't want to run my pme-calculation but this isn't of interest
anymore. I think we stick to patched gromacs-3.3 now.
(The problem with pme did not occur on every system - e.g. not with the
demo with pme enabled)
Thanks for your response
Mathias
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