On Mar 1, 2012, at 12:18 PM, Jason Swails wrote:
> 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
>
>
Since none of them will be available, what is the possibility of making the
source code available under some open source license? This is quite often
done with "end-of-life" code in commercial environments. If there will be
some other alternative, then that might be sufficient, but it would be a shame
for these very useful methods to just be rubbished. IMO.
Bud Dodson
>>
>> Thanks,
>>
>> ~Aron
>>
>> --
>> Aron Broom M.Sc
>> PhD Student
>> Department of Chemistry
>> University of Waterloo
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
M. L. Dodson
Business email: activesitedynamics-at-gmail-dot-com
Personal email: mldodson-at-comcast-dot-net
Gmail: mlesterdodson-at-gmail-dot-com
Phone: eight_three_two-five_63-386_one
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 01 2012 - 11:00:01 PST
