There is a newer version of the record available.

Published January 18, 2023 | Version v1
Dataset Open

MD simulation trajectory of POPC/CHOL (18.75 mol%) bilayer and related files

Authors/Creators

  • 1. University of Helsinki

Description

Simulation trajectory pre-equiblirated POPC/CHOL bilayer and related files from all-atom molecular dynamics simulations. The system contains 18.75mol% CHOL. Simulations have been performed with GROMACS-2021.2 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 104 POPC, 24 CHOL and 6400 water molecules. Temperature 310 K, pressure 1 bar.

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

Files

Files (6.7 GB)

Name Size
md5:5da53dc9ebb7795b73a7ab573e34e75e
836.6 MB Download
md5:4f4ed0acf337f69e34a7f2a5a56d81f2
98.6 MB Download
md5:44b77790ea03beae294a0841ae6dccf6
940.9 kB Download
md5:0143a035031360ecd20e1074ab36a478
5.7 GB Download