OpenFF POPC/CHOL 15% Simulation (55/9:55/9 at 298K)
收藏官方服务：
资源简介：
110 lipid bilayer (64:64) with 18 cholesterol molecules (9:9) and hydrated with 8480 SPC/E waters. Equilibrated for 100 ns and simulated for 200 ns at 298K. Full input and output from: https://github.com/PEFrankel/OpenFF_Bilayer. Parameters generated by OpenFF Toolkit (Mobley et al., 2018) + Interchange (https://zenodo.org/records/8229243). Forcefield line: 'openff-2.1.0.offxml' from OpenFF Sage (Boothroyd et al., 2023 / https://zenodo.org/records/7889050)
提供机构：
Zenodo创建时间：
2023-12-12
