Pure POPC Membrane with 350mM NaCl simulations using Drude Polarizable Force Field and OpenMM

500 ns MD simulation of pure POPC membrane using Charmm-Drude polarizable force field. The system contains 128 POPC lipids, 41 NaCl, and 6400 SWM4 water molecules. The simulation have been performed using OpenMM 7.4.1 Before running the Drude simulation, the system has been equilibriated using Charmm36 force field for 200 ns. The last frame of that simulation was used to generate Drude polarizable model. The first 100 ns of the Drude simulation has been discarded from this dataset. wrapped.dcd has a frame saving frequency of 100 ps. <strong>This data set is uploaded again, as the trajectories in the previous versions could have some imaging problems.</strong>本数据集为采用Charmm-Drude极化力场（Charmm-Drude polarizable force field）开展的纯POPC膜500纳秒分子动力学（MD）模拟体系。该体系包含128个POPC脂质分子、41个氯化钠（NaCl）分子与6400个SWM4水分子。本模拟通过OpenMM 7.4.1软件完成。在启动Drude极化模拟前，体系已通过Charmm36力场完成200纳秒的平衡化模拟，取该平衡模拟的最终帧以构建Drude极化模型。本数据集已剔除Drude模拟的前100纳秒时段数据。wrapped.dcd轨迹文件的帧保存频率为100皮秒（ps）。**本数据集已重新上传，此前版本的轨迹可能存在成像问题。**