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New open-source software permits faster desktop computer simulations of molecular motion
Date:2/5/2009

pen, cross platform tools that allow researchers to focus on solving problems with their GPU of choice."

NVIDIA is similarly committed to OpenMM. "OpenMM promises to further increase the adoption of GPU technology among the molecular dynamics community," said Andy Keane, general manager, GPU Computing at NVIDIA. "We'll continue our close collaboration with Stanford on OpenMM so that current and future libraries can maximally leverage the power of the GPU."

OpenMM incorporates specially developed algorithms that allow MD software to take full advantage of the GPU architecture. In fact, the OpenMM code is at the heart of the GPU implementations of the Folding@home project, which uses the horsepower of GPUs and CPUs in computers around the world to simulate protein folding. The current release uses an implicit solvent model, in which all the surrounding fluid, such as water, is represented as one continuous medium, rather than having each water molecule represented individually (an explicit solvent model). Future releases will allow the modeling of explicit solvent.


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Contact: Louis Bergeron
louisb3@stanford.edu
650-725-1944
Stanford University
Source:Eurekalert

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