[AMBER] ABMD in pmemd.cuda in AMBER 12

From: Aron Broom <broomsday.gmail.com>
Date: Thu, 1 Mar 2012 13:08:52 -0500

Dear AMBER Developers,

I realize you might be getting tired of all the questions concerning the
imminent release of AMBER 12, but I'm extremely interested to know if
things like Adaptively Biased Molecular Dynamics will be made available in
the cuda implementation in AMBER 12? I've been using it in sander, but the
performance-to-cost boost of using AMBER on GPUs is so extreme at the
moment when using something like a GTX570 in a desktop, that it is very
hard to justify using sander.



Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Thu Mar 01 2012 - 10:30:02 PST
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