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CCMA: A Robust, Parallelizable Constraint Method for Molecular Simulations
We introduce a new algorithm, the Constant Constraint Matrix Approximation (CCMA), for constraining distances in molecular simulations. It combines the best features of many existing algorithms while avoiding their defects: it is fast, stable, can be applied to arbitrary constraint topologies, and c...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2885791/ https://ncbi.nlm.nih.gov/pubmed/20563234 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900463w |
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