遇见数据集

POPC 128 lipid Sage2.2.1-alkane-filtered

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Zenodo2025-05-02 更新2026-05-26 收录
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资源简介:

POPC 128 lipid Sage2.2.1-alkane-filtered (note that this is not a released openFF force field, but instead a version used for force field development) 250 ns simulation (500 ns total but first 250 ns were cut because not yet equilibrated), charges assigned with NAGL openff-gnn-am1bcc-0.1.0-rc.3.pt

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Zenodo
创建时间:
2025-04-28
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