Thanks Ross, I will keep you and Perri updated on my progress.
Regards,
Xiongwu
> -----Original Message-----
> From: Ross Walker [mailto:ross.rosswalker.co.uk]
> Sent: Monday, January 12, 2015 2:12 PM
> To: AMBER Developers Mailing List
> Subject: Re: [AMBER-Developers] [AMBER] Using restraints to get a complex
>
> Hi Xiongwu,
>
> Nobody is actively working on this right now so if you can try to get it
> working that would be awesome. Please keep myself and Perri close in the
> loop though so we can make sure it gets integrated properly and works with
> other changes we plan on making over the next few months.
>
> All the best
> Ross
>
> > On Jan 12, 2015, at 10:37 AM, Wu, Xiongwu (NIH/NHLBI) [E]
> <wuxw.nhlbi.nih.gov> wrote:
> >
> > If no one is working on this, I will give a try to make SGLD work with
> pmemd.cuda.
> > Thanks!
> > Xiongwu
> >
> >> -----Original Message-----
> >> From: David A Case [mailto:case.biomaps.rutgers.edu]
> >> Sent: Monday, January 12, 2015 8:02 AM
> >> To: amber-developers.ambermd.org
> >> Subject: Re: [AMBER-Developers] [AMBER] Using restraints to get a
> >> complex
> >>
> >> On Sun, Jan 11, 2015, Ross Walker wrote:
> >>>
> >>
> >>> I'll take a look at how easy it
> >>> might be to add GPU support but resources are pretty stretched right
> >>> now, unless someone wants to volunteer to add it.
> >>
> >> It would be great to get SGLD into pmemd.cuda: I know I would really
> >> give it a workout. The emap constraints would be a very low priority, in
> my view.
> >>
> >> [Of course, if I really wanted SGLD, I should learn how to add it
> >> myself....]
> >>
> >> ...thx...dac
> >>
> >>
> >> _______________________________________________
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> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
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> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
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>
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Received on Mon Jan 12 2015 - 11:30:04 PST
