Published July 12, 2022 | Version v1
Dataset Open

MD simulation trajectory of SDPE/SDG/CHOL bilayer and related files

Authors/Creators

  • 1. University of Helsinki

Description

Simulation trajectory pre-equiblirated SDPE/SDG/CHOL bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.7 with Lipid17 forcefield and TIP3P water model. The trajectory is 0-1000 ns, and we have disregarded the first 100 ns in our analysis.

The system in the trajectory consists of 74 SDPE, 12 SDG, 42 CHOL and 6400 water molecules. Temperature 310 K, pressure 1 bar.

Publication: https://doi.org/10.1016/j.bbamem.2022.183961

Files

Files (7.0 GB)

Name Size
md5:f1855cef5e6c3714283357d1833d91ab
661.7 MB Download
md5:4aa7c96d7527aaa68b234bfe7aae95e6
72.4 MB Download
md5:4d6fa4d5a9a8b22d561e74ee4dfb3e0a
1.0 MB Download
md5:d613b1ac4f62d141e5dfb0bdbdc543ab
6.2 GB Download