AMBER Archive (2009)

Subject: [AMBER] The largest AMBER calculation(s)?

From: Vlad (vvv900_at_anusf.anu.edu.au)
Date: Mon May 18 2009 - 21:58:27 CDT

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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