Published August 24, 2020
| Version v1
Dataset
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POPC:POPG 1:1 MD simulation with CHARMM36 in 1 M CaCL solution and Na+ counter ions
Authors/Creators
Description
CHARMM36 POPC:POPG 1:1 bilayer simulation in 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, 29766 TIP3 water molecules, 578 Ca2+ ions and 1156 Cl- ions.
Total length of simulation is 400 ns. First 100 ns were discarded. Saving frequency of 100-400ns.xtc is 20 ps.
Files
Files
(7.3 GB)
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md5:707cd33d00ccb494c0cd5c765bc8d0c6
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md5:0df11e92c5ce5fd9f2350190d534581f
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md5:95ed3825d0dfe82ce4a0c777f79da8a6
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572 Bytes | Download |
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md5:442da0d19e7bbc8f6b54ae4af1108437
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334 Bytes | Download |
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md5:60d68ae14a4f10affad2eb6b0828621a
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334 Bytes | Download |
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md5:78b29e09a5937d2f9db5f64f6cbfd9ec
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32.0 kB | Download |
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md5:441ade57746cc3fd828e465b89f467b1
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38.6 kB | Download |
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md5:f80d185b0d763f015048e1baea5ee338
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36.5 kB | Download |
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md5:656423d8e17f5028fcffa626aebb4789
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3.2 MB | Download |
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md5:c79f8f9fcaa76847164bf606d2672c6d
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334 Bytes | Download |
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md5:4586ad94d6d9396bc01d9580b42b5aa2
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1.1 kB | Download |
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md5:e163a90c2d069565f80d1c2b4857d4ce
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648 Bytes | Download |