I found some compiler/hardware senitive bugs in the Gromacs-CPMD
qmmm interface release gmx-3.3.1_qmmm-1.3 and fixed them. It has now
solved the problem reported by Gireesh M Krishnan few days back and is
working fine in AMD x86-64, with GNU/Linux 2.6.9.
I am waiting for further test results currently conducted by Christian Seifart
in some other systems to put up this new version gmx-3.3.1_qmmm-1.3.1
in our qmmm site: http://comppsi.csuohio.edu/groups/qmmm.html
**As of now, THIS NEW VERSION IS AVAILABLE AT:
http://comppsi.csuohio.edu/groups/people/biswas.html
You are encouraged to use this new version and report us, if there is any problem.
cheers,
pb.
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