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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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Detalhes bibliográficos
Main Authors: Larsen, Adrien B., Wagner, Jeffrey R., Kandel, Saugat, Salomon-Ferrer, Romelia, Vaidehi, Nagarajan, Jain, Abhinandan
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
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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