CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

[Image: see text] Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simu...

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Detalles Bibliográficos
Autores principales: Lee, Jumin, Cheng, Xi, Swails, Jason M., Yeom, Min Sun, Eastman, Peter K., Lemkul, Justin A., Wei, Shuai, Buckner, Joshua, Jeong, Jong Cheol, Qi, Yifei, Jo, Sunhwan, Pande, Vijay S., Case, David A., Brooks, Charles L., MacKerell, Alexander D., Klauda, Jeffery B., Im, Wonpil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4712441/
https://www.ncbi.nlm.nih.gov/pubmed/26631602
http://dx.doi.org/10.1021/acs.jctc.5b00935

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4712441/
https://www.ncbi.nlm.nih.gov/pubmed/26631602
http://dx.doi.org/10.1021/acs.jctc.5b00935

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