Re: [AMBER] REMD with pmemd.cuda

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 08 Apr 2014 07:45:18 -0400

On Tue, 2014-04-08 at 03:37 -0400, Nhai wrote:
> I dont think there is any difference.

Except of course you need to use pmemd.cuda.MPI instead of sander.MPI as
described in the relevant tutorial
[http://ambermd.org/tutorials/advanced/tutorial7/] ;).


>
> Hai Nguyen
>
> > On Apr 7, 2014, at 9:04 PM, Milo Westler <milo.nmrfam.wisc.edu> wrote:
> >
> > Anyone know of a recent tutorial to do temperature REMD on multiple gpus?
> >
> > Thanks,
> >
> > --
> > -- Milo
> > ===================================================
> > National Magnetic Resonance Facility at Madison
> > An NIH-Supported Resource Center
> >
> > W. Milo Westler, Ph.D.
> >
> > NMRFAM Director
> > Senior Scientist
> > and
> > Adjunct Professor
> > Department of Biochemistry
> > University of Wisconsin-Madison
> > 433 Babcock Drive
> > Madison, WI USA 53706-1544
> > EMAIL: milo.nmrfam.wisc.edu
> > PHONE: (608)-263-9599
> > FAX: (608)-263-1722
> > =======================================================================
> > ========
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-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Apr 08 2014 - 05:00:03 PDT
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