Hi,
pmemd.cuda is in Amber.
pmemd.cuda is not in AmberTools.
Amber16 and Amber18 are not free.
Amber18 will be released soon.
See ambermd.org.
These details are mentioned in the first few paragraphs.
scott
You can only use pmemd.cuda if you have Amber
On Mon, Apr 16, 2018 at 10:43:23PM +0430, Atila Petrosian wrote:
> How to install AmberTools17 to use pmemd.cuda under gpu?
>
> Is pmemd.cuda faster than sander?
>
> On Mon, Apr 16, 2018 at 2:52 AM, Setyanto Md <stwahyudi.md.gmail.com> wrote:
> > You can use pmemd.cuda instead of sander, to do long simulation.
> >
> > 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 - 12:00:04 PDT
