Published August 24, 2020
| Version v2
Dataset
Open
Lipid17ecc POPC:POPG 4:1 bilayer simulation in 1 M CaCl2 solution and Na+ counter ions
Authors/Creators
Description
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.
Files
Files
(7.5 GB)
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3.6 MB | Download |
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746 Bytes | Download |