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Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, lar...

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書目詳細資料
發表在:J Chem Phys
Main Authors: Kandel, Saugat, Salomon-Ferrer, Romelia, Larsen, Adrien B., Jain, Abhinandan, Vaidehi, Nagarajan
格式: Artigo
語言:Inglês
出版: AIP Publishing LLC 2016
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC4733083/
https://ncbi.nlm.nih.gov/pubmed/26827207
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4939532
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