Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability

From: Marc van der Kamp <marcvanderkamp.gmail.com>
Date: Mon, 19 Dec 2011 09:53:36 +0000

Hi there,

Any ETA on the bugfix yet?
I appreciate things get busy, but it would be great if you could post the
fix soon (so I can start using it over the X-mas holidays).
If this is difficult, could Scot perhaps give us the changes he made in the
code (or is it too involved)?

Many thanks, and (both) your efforts with pmemd.cuda are immensely
appreciated!
Marc

On 1 December 2011 17:23, Scott Le Grand <varelse2005.gmail.com> wrote:

> Why don't you hold on that long enough to throw in the netfrc fix along
> with it?
>
>
> On Thu, Dec 1, 2011 at 9:15 AM, Ross Walker <ross.rosswalker.co.uk> wrote:
>
> > Hi Marc,
> >
> > > Great to hear a fix is on the way! Thanks, Scott.
> > >
> > > How/when will I be able to apply the fix? Just wait until it appears on
> > > http://ambermd.org/bugfixes11.html, or could there be another (faster)
> > > way?
> >
> > I'll post a bugfix in a few days once I have had a chance to test it
> > properly.
> >
> > All the best
> > Ross
> >
> > /\
> > \/
> > |\oss Walker
> >
> > ---------------------------------------------------------
> > | Assistant Research Professor |
> > | San Diego Supercomputer Center |
> > | Adjunct Assistant Professor |
> > | Dept. of Chemistry and Biochemistry |
> > | University of California San Diego |
> > | NVIDIA Fellow |
> > | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> > | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> > ---------------------------------------------------------
> >
> > Note: Electronic Mail is not secure, has no guarantee of delivery, may
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> >
> >
> >
> >
> >
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Received on Mon Dec 19 2011 - 02:00:04 PST
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