PSM core force field validation
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/14713955
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资源简介：
PSM simulation parameterized with Sage2.2.1.core.offxml
Lipids: PSMLipid count: 128 (64 per leaflet)Solvent: TIP3PSolvent count: 5120 (40 w/l)Ions: noIon Count: n/aTemperature: 328KLength 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])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
创建时间：
2025-01-21
