Yes of course... I'm sorry! But with pmemd it should work?
Am 15.12.2015 17:14 schrieb "Hannes Loeffler" <Hannes.Loeffler.stfc.ac.uk>:
> On Tue, 15 Dec 2015 16:24:02 +0100
> Johannes Loeffler <johannes.r.loeffler.gmail.com> wrote:
>
> > I am looking at a range from 0.005 to 0.995, where as in between the
> > two end values i have chosen a spacing of 0.05
> > So the to perform mbar analysis I should perform my simulations
> > rather with the cuda implementation?
>
> I think you mean pmemd. As far as I know there is not GPU support in
> the current release.
>
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Received on Tue Dec 15 2015 - 09:00:05 PST
