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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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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2014
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| Assuntos: | |
| Acesso em linha: | 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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