Re: [AMBER] mbar

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Tue, 15 Dec 2015 16:14:07 +0000

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.

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 15 2015 - 08:30:06 PST
Custom Search