Published August 24, 2020
| Version v1
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POPC:POPG 4:1 MD simulation with CHARMM36 in 1 M CaCL2 solution with Na+ counterions
Authors/Creators
Description
CHARMM36 POPC:POPG 4:1 bilayer simulation in 1 M CaCl2 solution. The initial structure was taken from CHARMM-GUI. Temperature is 298 K. The system contains 350 POPC, 88 POPG, 88 sodium ions, 24927 TIP3 water molecules, 451 Ca2+ ions and 902 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
(7.2 GB)
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334 Bytes | Download |
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md5:b721cfb4aebc272c8f0c851faa62e569
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3.3 MB | Download |
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md5:c79f8f9fcaa76847164bf606d2672c6d
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334 Bytes | Download |
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md5:e163a90c2d069565f80d1c2b4857d4ce
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648 Bytes | Download |