On Thu, Mar 1, 2012 at 1:08 PM, Aron Broom <broomsday.gmail.com> wrote:
> 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.
>
No, ABMD will not be making it into pmemd.cuda. (None of the NCSU codes
are being migrated over). Accelerated MD should be included, though, as an
alternative to ABMD.
HTH,
Jason
>
> Thanks,
>
> ~Aron
>
> --
> Aron Broom M.Sc
> PhD Student
> Department of Chemistry
> University of Waterloo
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Mar 01 2012 - 10:30:03 PST
