POPC:POPG 1:1 MD simulation with CHARMM36 in 0.1 M CaCL solution and Na+ counter ions
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CHARMM36 POPC:POPG 1:1 bilayer simulation in 0.1 M CaCl2 solution. The initial structure was taken from CHARMM-GUI. Temperature is 298 K. The system contains 150 POPC, 150 POPG, 150 sodium ions, 31329 TIP3 water molecules, 57 Ca2+ ions and 114 Cl- ions. Total length of simulation is 400 ns. First 100 ns were discarded. Saving frequency of 100-400ns.xtc is 20 ps.
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Zenodo创建时间：
2020-09-16
