MD simulation trajectory of SDPE bilayer and related files
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Simulation trajectory pre-equiblirated SDPE 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 SDPE and 6400 water molecules. Temperature 310 K, pressure 1 bar. Publication: https://doi.org/10.1016/j.bbamem.2022.183961
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Zenodo创建时间：
2023-01-18
