Re: [AMBER] amber12

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 26 Mar 2012 11:32:45 -0400

On Mon, Mar 26, 2012 at 5:26 AM, Elisa Frezza <elisa.frezza.gmail.com>wrote:

> Dear all
>
> I would like to ask you when the new version of Amber will be available and
> if in new version nmropt =1 would be supported in GPU version.
>

The goal was in March sometime, but April is probably more likely at this
point. And yes, nmropt=1 will be supported in pmemd.cuda in Amber 12,
albeit with a potentially significant performance hit.

All the best,
Jason


>
> Thank you in advance
>
> Elisa Frezza
>
> --
> Elisa Frezza
> Ph.D. Student in Materials Science and Engineering
> Dipartimento di Scienze Chimiche
> UniversitÓ di Padova
> via Marzolo, 1
> 35131 Padova - Italy
> Phone: +39 049 827 5149
> Skype: elisa.frezza
> Emai: elisa.frezza.gmail.com
> elisa.frezza.studenti.unipd.it
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Mar 26 2012 - 09:00:03 PDT
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