[AMBER] The largest AMBER calculation(s)?

From: Vlad <vvv900.anusf.anu.edu.au>
Date: Tue, 19 May 2009 03:58:27 +0100

Dear All,

I have a couple of questions.

What are the largest Amber calculation(s) (number of atoms) you know of?

Has anyone published anything on the parallel performance of Amber for large jobs - scaling, what the bottlenecks are etc?

Thanks,
Vlad

-- 
Dr Vladislav Vassiliev
Computational Chemist
ANU Supercomputer Facility,
56 Leonard Huxley Building,
The Australian National University,
Canberra ACT 0200 Australia
Jamberoo - Java Molecular Editor: http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/
Telephone  : +61 2 6125 9694
Fax        : +61 2 6125 8199
WWW        : http://sf.anu.edu.au/~vvv900/
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Received on Wed May 20 2009 - 17:25:44 PDT