Nonconverged Constraints Cause Artificial Temperature Gradients in Lipid Bilayer Simulations

[Image: see text] Molecular dynamics (MD) simulations have become an indispensable tool to investigate phase separation in model membrane systems. In particular, simulations based on coarse-grained (CG) models have found widespread use due to their increased computational efficiency, allowing for si...

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Detalles Bibliográficos
Autores principales: Thallmair, Sebastian, Javanainen, Matti, Fábián, Balázs, Martinez-Seara, Hector, Marrink, Siewert J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8404198/
https://www.ncbi.nlm.nih.gov/pubmed/34398598
http://dx.doi.org/10.1021/acs.jpcb.1c03665

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8404198/
https://www.ncbi.nlm.nih.gov/pubmed/34398598
http://dx.doi.org/10.1021/acs.jpcb.1c03665

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