MD simulation trajectory of POPE bilayer and related files

Simulation 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.2022.183961