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Parallelization of CPPTRAJ Enables Large Scale Analysis of Molecular Dynamics Trajectory Data
Advances in biomolecular simulation methods and access to large scale computer resources have led to a massive increase in the amount of data generated. The key enablers have been optimization and parallelization of the simulation codes. However, much of the software used to analyze trajectory data...
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| Опубликовано в: : | J Comput Chem |
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| Главные авторы: | , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2018
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7313716/ https://ncbi.nlm.nih.gov/pubmed/30368859 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25382 |
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