cc-by-4.0Suvi Heinonen2025-04-292023-01-182023-01-18https://datakatalogi.helsinki.fi/handle/123456789/4404Simulation trajectory pre-equiblirated POPE bilayer and related files from all-atom molecular dynamics simulations. 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 128 POPE and 6400 water molecules. Temperature 310 K, pressure 1 bar. Publication: https://doi.org/10.1016/j.bbamem.2022.183961dataset