遇见数据集

OpenFF POPC (64:64) -- Shortened

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Zenodo2024-04-01 更新2026-05-26 收录
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128 lipid bilayer (64:64) hydrated with 5120 TIP3P waters. Equilibrated for 100 ns and simulated for 200 ns at 300K Parameters generated by OpenFF Toolkit (Mobley et al., 2018) + Interchange. Forcefield line: 'openff-2.1.0.offxml' from OpenFF Sage These files are identical to the previous POPC but shortened to check that NMRLipids Databank works for bilayer thikness, form factor.

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创建时间:
2024-04-01
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