Title: Centered trajectories of NMRlipids II

Type Dataset Miettinen, Markus S. (2016): Centered trajectories of NMRlipids II. Zenodo. Dataset. https://zenodo.org/record/167336

Authors: Miettinen, Markus S. (Max Planck Institute of Colloids and Interfaces) ; Girych, Mykhailo (Aalto University) ; Javanainen, Matti (Tampere University of Technology) ; Melcr, Josef (Charles University in Prague) ; Monticelli, Luca (Univ Lyon) ; Määttä, Jukka (Aalto University) ; Ollila, O. H. Samuli (Aalto University) ; Tynkkynen, Joona (Tampere University of Technology) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

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 Molecular electrometer and binding of cations to phospholipid bilayers (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!

More information

• DOI: 10.5281/zenodo.167336

Dates

• Publication date: 2016
• Issued: November 17, 2016

Rights

• https://creativecommons.org/licenses/by-sa/4.0/legalcode Creative Commons Attribution Share Alike 4.0 International
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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