OpenFF POPS Simulation with Na+ Counterions (64:64 at 298K)
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https://zenodo.org/record/10266048
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资源简介：
128 lipid bilayer (64:64) balanced with 128 Na+ ions and hydrated with 4480 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)
创建时间：
2023-12-05
