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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Larsen, Adrien B., Wagner, Jeffrey R., Kandel, Saugat, Salomon-Ferrer, Romelia, Vaidehi, Nagarajan, Jain, Abhinandan
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2014
Pynciau:
Mynediad Ar-lein: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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