Dear Setyanto,
Thanks for answer.
How to install AmberTools17 to use pmemd.cuda under gpu?
Is pmemd.cuda faster than sander?
Best,
Atila
On Mon, Apr 16, 2018 at 2:52 AM, Setyanto Md <stwahyudi.md.gmail.com> wrote:
> Dear Atika Petrosian,
>
> You can use pmemd.cuda instead of sander, to do long simulation.
>
> Regards,
> Setyanto
>
> Pada tanggal 15 Apr 2018 12.58 PM, "Atila Petrosian" <
> atila.petrosian.gmail.com> menulis:
>
> Dear Scott,
> Thanks for your answer.
>
> On Sun, Apr 15, 2018 at 1:36 AM, Scott Brozell <sbrozell.rci.rutgers.edu>
> wrote:
>
> > Hi,
> >
> > On Sat, Apr 14, 2018 at 08:29:32PM +0430, Atila Petrosian wrote:
> > > Which version of amber has free module of sander?
> > >
> > > Is this version GPU-supported?
> >
> > All of AmberTools is free and it contains sander.
> > AmberTools17 is available for download at the Amber web site.
> > Amber18 which includes AmberTools18 will be released soon.
> >
> > sander is not GPU-supported.
> >
> >
>
> > I have many molecular systems to do md simulation with long simulation
> > time. Thus, I need to do them using GPU.
> >
> > Isn't there an alternative for sander under GPU?
> >
> >
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Received on Mon Apr 16 2018 - 11:30:02 PDT
