On 8/20/13 5:52 AM, grita wrote:
Dear Dwey & Justin,
I've not tried it yet and I've asked because in the 4.5.x GPU version of
Gromacs not all features were supported.
In my simulations I'm using the SD integrator and the Pull-Code.
Since both are supported in the current GPU version, I will try it on a
computer with a CUDA graphic card.
Versions in the 4.5.x series only support GPU acceleration via OpenMM and thus
most Gromacs features are not supported. Native GPU support in 4.6 is much more
comprehensive.
-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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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