Centered trajectories of NMRlipids II

  • Markus S. Miettinen (Creator)
  • Mykhailo Girych (Contributor)
  • Matti Javanainen (Contributor)
  • Josef Melcr (Contributor)
  • Luca Monticelli (Univ Lyon 1, Centre National de la Recherche Scientifique (CNRS), University of Claude Bernard - Lyon 1, PRES University of Lyon, CNRS, UMR 5013, Equipe Organisat & Dynam Membranes Biol) (Contributor)
  • Jukka Määttä (Contributor)
  • Joona Tynkkynen (Contributor)
  • Samuli Ollila (Creator)

Tietoaineisto

Description

Collection of molecular dynamics simulation trajectories previously published in the NMRlipids community of Zenodo, and the related input files needed for their analysis. These centered (origin at the lipid bilayer center) trajectories were used in the NMRlipids II project. In addition to trajectories, files containing lipidwise C-H order parameters (for the beta and alpha segments of the PC-lipid headgroup) for each frame are provided.

Note that this upload is provided just for the ease of repetition of the analysis by the interested reader of the NMRlipids II publication <em>Molecular electrometer and binding of cations to phospholipid bilayers</em> (http://dx.doi.org/10.1039/c6cp04883h). If you use any data provided in here for your own work, please cite the corresponding original uploads!
Koska saatavilla2016
JulkaisijaZenodo

Dataset Licences

  • CC-BY-4.0

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