MD simulation trajectory of SDPE/DOG/CHOL bilayer and related files

Simulation trajectory pre-equiblirated SDPE/DOG/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 SDPE, 12 DOG, 42 CHOL and 6400 water molecules. Temperature 310 K, pressure 1 bar. Publication: https://doi.org/10.1016/j.bbamem.2022.183961本数据集包含经预平衡的SDPE/DOG/CHOL双层膜模拟轨迹及相关文件，均来自全原子分子动力学模拟。模拟采用GROMACS-2018.7软件完成，所用力场为Lipid17，水分子模型为TIP3P。模拟轨迹时长为0至1000 ns，本研究分析时已舍弃前100 ns的轨迹数据。该模拟体系包含74个SDPE分子、12个DOG分子、42个CHOL分子以及6400个水分子。模拟温度为310 K，压力为1 bar。相关文献：https://doi.org/10.1016/j.bbamem.2022.183961