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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
We present an implementation of generalized Born implicit solvent all-atom classical molecular dynamics (MD) within the AMBER program package that runs entirely on CUDA enabled NVIDIA graphics processing units (GPUs). We discuss the algorithms that are used to exploit the processing power of the GPU...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2012
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3348677/ https://ncbi.nlm.nih.gov/pubmed/22582031 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200909j |
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