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GneimoSim: A Modular Internal Coordinates Molecular Dynamics Simulation Package
The Generalized Newton Euler Inverse Mass Operator (GNEIMO) method is an advanced method for internal coordinates molecular dynamics (ICMD). GNEIMO includes several theoretical and algorithmic advancements that address longstanding challenges with ICMD simulations. In this paper we describe the Gnei...
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| 主要な著者: | , , , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2014
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4211970/ https://ncbi.nlm.nih.gov/pubmed/25263538 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23743 |
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