Centered trajectories of NMRlipids II
Contributors
- 1. Aalto University
- 2. Tampere University of Technology
- 3. Charles University in Prague
- 4. Univ Lyon
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 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!
Files
Berger-OPLS.zip
Files
(35.0 GB)
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