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MD simulation trajectory of DOG/POPE bilayer and related files

<p>Raw simulation trajectory data of pre-equiblirated DOG/POPE bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.6 with Lipid17 forcefield and TIP3P water model. The trajectory is 0-2100 ns, and we have disregarded the first 100 ns in our analysis.</p> <p>The system in the trajectory consists of 12 DOG, 116 POPE and 6400 water molecules. Temperature 310 K, pressure 1 bar.</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0

Topics

Dataset details

Repository
zenodo
Published
June 28, 2022
License
cc-by-4.0
DOI
10.5281/zenodo.6778071

Scored with release 0.9.0

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