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All-atom simulation of a PLPC bilayer

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Zenodo2025-08-14 更新2026-05-26 收录
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Fully hydrated all-atom bilayer of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine (PLPC). The bilayer was constructed with CHARMM-GUI and has 100 lipids per leaflet and no added salt ions. After equilibration in NAMD following CHARMM-GUI's 7-step protocol, the system was simulated at 25C (298K) with OpenMM for 2.16 microseconds. Uploaded are the structure file (.psf), trajectory centered on the bilayer midplane with output frequency 40 ps (54,000 frames total, .dcd) and a sample OpenMM input parameter file (.txt).

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Zenodo
创建时间:
2025-05-11
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