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POPC:POPG 4:1 MD simulation with CHARMM36 in water with Na+ counter ions

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Zenodo2020-09-01 更新2026-05-25 收录
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资源简介:

CHARMM36 POPC:POPG 4:1 bilayer simulation in water. The initial structure was taken from CHARMM-GUI. Temperature is 298 K. The system contains 350 POPC, 88 POPG, 88 sodium ions and 26280 TIP3P water molecules. Total length of simulation is 400 ns. First 100 ns were discarded. Saving frequency of 100-300ns.xtc is 20 ps.

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Zenodo
创建时间:
2020-08-24
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