POPC aux replicate 3
收藏NIAID Data Ecosystem2026-05-02 收录
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Parameterized with Sage2.2.1-aux TIP3P water parameters Lipids: POPCLipid count: 128 (64 per leaflet)Solvent: TIP3PSolvent count: 5120 (40 w/l)Ions: noIon Count: n/aTemperature: 300KLength of equilibration: 100ns (40 NVT - 60 NPT)Length of production: 500ns HMR w/ 4fs timestep 0.9 rvdw/rcouloumb cutoff 0.8 rvdw-switch SMILES string: [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
创建时间：
2025-02-16
