Centered trajectories of NMRlipids II
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!
Show moreYear of publication
2016
Authors
Aalto University - Contributor
Department of Chemistry
Joona Tynkkynen - Contributor
Josef Melcr - Contributor
Jukka Määttä - Contributor
Luca Monticelli - Contributor
Matti Javanainen - Contributor
Mykhailo Girych - Contributor
Markus S. Miettinen - Creator
Samuli Ollila - Creator
Charles University - Contributor
Max Planck Institute of Colloids and Interfaces - Contributor
Tampere University of Technology - Contributor
University of Claude Bernard - Contributor
Zenodo - Publisher
Other information
Fields of science
Chemical sciences
Open access
Open
License
Creative Commons Attribution 4.0 International (CC BY 4.0)