[gmx-users] umbrella sampling on GPU with Gromacs 4.6
jalemkul at vt.edu
Mon Jul 8 18:58:13 CEST 2013
On 7/8/13 12:56 PM, Diana Fusco wrote:
> Hi Justin,
> I have actually followed your tutorial to perform umbrella sampling on CPU and
> it worked great. Can I use the same file for GPU acceleration or I have to add
> some fields and commands?
There's nothing GPU-specific in the .mdp file.
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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