[gmx-users] gromacs-4.6.4 with GPU

[Justin Lemkul]

On Sun, Nov 24, 2013 at 9:13 PM, aixintiankong <aixintiankong at 126.com>wrote:

> Dear,
>     i want to install gromacs-4.6.4 with GPU ,but i have only one GPU on a
> 32 threads workstation. should i install the openMM ?
>
>
No. OpenMM was only used in the 4.5 series for implicit solvent simulations
on GPU. It had very limited feature compatibility and support for it has
been dropped. As of version 4.6, Gromacs provides native GPU support for
many features.

-Justin

-- 

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

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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