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Efficient Nonbonded Interactions for Molecular Dynamics on a Graphics Processing Unit
We describe an algorithm for computing nonbonded interactions with cutoffs on a graphics processing unit (GPU). We have incorporated it into OpenMM, a library for performing molecular simulations on high performance computer architectures. We benchmark it on a variety of systems including boxes of w...
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| Hoofdauteurs: | , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2010
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2841709/ https://ncbi.nlm.nih.gov/pubmed/19847780 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21413 |
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