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 Sun Apr 15 2018 - 15:30:02 PDT
