PLPC (PiLPC) lipid bilayer | 1-palmitoyl-2-isolinoleoyl-i«-glycero-3-phosphocholine with C6-C7 and the C9-C10 double bonds | 303K, CHARMM36m-WYF forcefield, NAMD 3.0.2, 2* 500 ns

PLPC (PiLPC) lipid bilayer: 1-palmitoyl-2-isolinoleoyl-i«-glycero-3-phosphocholine with C6-C7 and the C9-C10 double bonds200 lipid molecules (100 lipids per leaflet) and no ions.Lipid for a total water content of 50 wt% >>> Hydration: 42Temperature: 303.15System was prepared using CHARMM-GUI.CHARMM36m-WYF forcefield was used.Simulation was performed with NAMD 3.0.2.timestep: 2.0 fs500 ns production after 150 ns equilibrationdcd saving freq: 100002 replicatesPLPC（PiLPC）脂质双层：指带有C6-C7与C9-C10双键的1-棕榈酰基-2-异亚油酰基-sn-甘油-3-磷酸胆碱；体系包含200个脂质分子（每个单层100个），不含离子。总含水量为50 wt%（质量分数），水合参数：42，温度：303.15。该体系通过CHARMM-GUI构建，采用CHARMM36m-WYF力场，使用NAMD 3.0.2完成分子动力学模拟。模拟参数与流程为：时间步长2.0飞秒，先进行150 ns的平衡模拟，随后开展500 ns的生产模拟；DCD轨迹文件保存频率为10000，共设置2次重复实验。