Lipid17ecc POPC:POPG 4:1 bilayer simulation in 1 M CaCl2 solution and Na+ counter ions
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Lipid17ecc POPC:POPG 4:1 bilayer simulation in 1 M CaCl2 solution. The initial structure was taken from https://zenodo.org/record/3874378#.X0OfthmEZGF . Temperature is 298 K. The system contains 350 POPC, 88 POPG, 88 Na+ ions, 24840 SPCE water molecules, 475 Ca2+ ions and 950 Cl- ions Total length of simulation is 400 ns. First 100 ns were discarded as equilibration time. Saving frequency of 100-300ns.xtc is 20 ps.
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Zenodo创建时间：
2021-02-02
