Published July 12, 2022 | Version v1
Dataset Open

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

Authors/Creators

  • 1. University of Helsinki

Description

Simulation trajectory pre-equiblirated POPE/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 POPE, 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 (6.8 GB)

Name Size
md5:1944170e06a3a9729752f98aff1da5a9
667.0 MB Download
md5:76be5dbbe73b89b490c5870fb9ff13a6
72.9 MB Download
md5:bb6f65399d2ab101f65a28f2c24a1870
1.0 MB Download
md5:e61c42d884283f5201c320ddc1d339a1
6.1 GB Download