Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

In this data article we provide topologies and force field parameters files for molecular dynamics simulations of lipids in the OPLS-aa force field using the GROMACS package. This is the first systematic parameterization of lipid molecules in this force field. Topologies are provided for four phosph...

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Detalles Bibliográficos
Autores principales: Kulig, Waldemar, Pasenkiewicz-Gierula, Marta, Róg, Tomasz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2015
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4602361/
https://www.ncbi.nlm.nih.gov/pubmed/26568975
http://dx.doi.org/10.1016/j.dib.2015.09.013

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4602361/
https://www.ncbi.nlm.nih.gov/pubmed/26568975
http://dx.doi.org/10.1016/j.dib.2015.09.013

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