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Dear Mr. Cheatham,
i heared some rumours (don't ask me where, mailing list?) that the new
PTRAJ version might contain some functionality to cluster the
conformations of a trajectory. I know that many people recommand the
NMRClust program, but it has its limitations with 5k or more conformations.
I just wanted to ask if this is really planned or not because we are
think about writing our on program. But if PTRAJ will have such a
feature in the near future we might save a lot of time and work :-)
Bye,
Fabian
- --
Fabian Bös
Institute of Technical Biochemistry
University of Stuttgart / Germany
Phone: +49-711-6857481
Fax: +49-711-6853196
Email: fabian.boes.itb.uni-stuttgart.de
http://www.itb.uni-stuttgart.de
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Received on Fri Oct 15 2004 - 09:53:01 PDT
