All-atom simulation of DOPC with 35 mol% cholesterol

Fully hydrated all-atom bilayer of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) with 35 mol% cholesterol (Chol). The bilayer was constructed with CHARMM-GUI and has 100 lipids per leaflet and no added salt ions. After equilibration in NAMD following CHARMM-GUI's 7-step protocol, the system was simulated at 25C (298K) with OpenMM for 2.34 microseconds. Uploaded are the structure file (.psf), trajectory centered on the bilayer midplane with output frequency 40 ps (58,608 frames total, .dcd) and a sample OpenMM input parameter file (.txt).本数据集为摩尔占比35%的胆固醇（Chol）的1,2-二油酰基-sn-甘油-3-磷酸胆碱（DOPC）全原子完全水合脂质双层膜体系。该双层膜通过CHARMM-GUI构建，每个脂质单层包含100条脂质分子，且未添加额外盐离子。该体系遵循CHARMM-GUI的七步流程在NAMD中完成分子动力学平衡后，使用OpenMM在25℃（298K）条件下进行了2.34微秒的模拟。本次上传的文件包括：体系结构文件（.psf）、以双层膜中平面为参考中心对齐的轨迹文件（输出间隔为40皮秒，总计58608帧，格式为.dcd），以及一份OpenMM输入参数示例文件（.txt）。