1-stearoyl(d35)-2-docosapentaenoyl-sn-glycero-3-phosphocholine (18:0(d35)/22:5n6PC) | SDPC lipid bilayer, 303K, CHARMM36m-WYF forcefield, NAMD 3.0.2, 2* 500 ns

1-stearoyl(d35)-2-docosapentaenoyl-sn-glycero-3-phosphocholine (18:0(d35)/22:5n6PC) | SDPC lipid bilayer. Deutrated, 18:0 (DX1, DX2 atom type in psf) 200 lipid molecules (100 lipids per each leaflet) and no ions. Lipid for a total water conctent of 50 wt% >>> Hydration: 48 Temperature: 303.15 System was prepared using CHARMM-GUI. CHARMM36m-WYF forcefield was used. Simulation was performed with NAMD 3.0.2. timestep: 2.0 fs 500 ns production after 150 ns equilibration dcd saving freq: 100001-硬脂酰-d35-2-二十二碳五烯酰-sn-甘油-3-磷酸胆碱（18:0(d35)/22:5n6PC）| SDPC脂质双层膜。该脂质经氘代修饰，其18:0脂肪酸链在psf文件中的原子类型为DX1、DX2。体系包含200个脂质分子，脂双层上下两个小叶各含100个脂质，无额外电解质离子。脂质体系总水含量为50 wt%，水化值为48。模拟温度为303.15 K。体系通过CHARMM-GUI平台构建，采用CHARMM36m-WYF力场进行参数设置，使用NAMD 3.0.2软件完成模拟。模拟时间步长为2.0 fs，先经150 ns平衡模拟，随后开展500 ns生产模拟。dcd格式轨迹文件的保存频率为每10000步一次。