POPC 128 lipid Sage2.2.1-alkane-filtered (force field development)

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) 500 ns simulation, charges assigned with NAGL openff-gnn-am1bcc-0.1.0-rc.3.pt含128个POPC分子的脂质体系，采用经烷烃过滤处理的Sage2.2.1力场 请注意，该力场并非已发布的openFF力场，而是仅用于力场开发的版本。 该体系的分子动力学模拟时长为500纳秒，体系电荷通过NAGL的openff-gnn-am1bcc-0.1.0-rc.3.pt模型完成分配。