POPC 128 lipid Sage2.2.1-alkane-filtered
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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



