Berger Pure Popc Md Simulation (300 K - 300Ns - 1 Bar)

Berger POPC pure bilayer simulation (300 K, with 256 POPC lipids fully hydrated with 40 water molecules per lipid). The trajectory contains the whole simulation from 0 to 300 ns skipped every 100 ps and centered on the P atoms. No ions were added as there is no global net charge in the system. This bilayer was used to calculate the order parameter and the area per lipid for the NMRlipids IV project (on the time window 100-300 ns).采用Berger力场的纯1-棕榈酰-2-油酰-sn-甘油-3-磷酸胆碱（POPC）双层膜模拟体系：模拟温度设置为300 K，包含256个POPC脂质分子，每个脂质分子完全水合40个水分子。该分子动力学轨迹涵盖了0至300 ns的完整模拟过程，每隔100 ps抽取一帧，并以磷原子（P）为中心进行坐标对齐。体系不存在全局净电荷，因此未添加任何离子。该双层膜体系被用于NMRlipids IV项目的有序参数与单位脂质面积计算，计算时段为100~300 ns。