Published September 16, 2020
| Version v1
Dataset
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POPC:POPG 1:1 MD simulation with CHARMM36 in 0.1 M CaCL solution and Na+ counter ions
Authors/Creators
Description
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.
Files
Files
(7.4 GB)
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md5:fe1ced22b93e74125603ec8e8f52cae5
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md5:461b57c2ff7bdfe2283e63b1b1b71768
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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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md5:441ade57746cc3fd828e465b89f467b1
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md5:7e2070a298440217941d1bb6c8bb1e30
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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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1.1 kB | Download |
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md5:e163a90c2d069565f80d1c2b4857d4ce
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648 Bytes | Download |