Published March 9, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field, 100 mM NaCl
Authors/Creators
Description
MD simulation of POPC bilayer with CHARMM36 force field, 100 mM NaCl
Dataset contains simulation files including centered and equilibrated trajectory Nacl100-25-500ns.xtc.
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Salt: NaCl
Concentration: 100 mM
Number of cations: 16
Simulation time: 500 ns
Simulation engine: GROMACS 2019.5
Temperature: 300 K
Files
Files
(20.0 GB)
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md5:60d68ae14a4f10affad2eb6b0828621a
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334 Bytes | Download |
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md5:4c9e9ac42e5077cf8d33a5f094be2754
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26.9 kB | Download |
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md5:ea75eb0314bb22b7a3df2c8d4cb26027
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9.3 GB | Download |
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md5:441ade57746cc3fd828e465b89f467b1
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38.6 kB | Download |
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md5:34930232f9ef4c4123da5ad51b07415b
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156.0 MB | Download |
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md5:70d71ceb52c5d68bd5b02a1d8c9b3f4e
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3.7 MB | Download |
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md5:382d3b92cf2e0286f8237c58be078dbf
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1.3 MB | Download |
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md5:8ebb4a5b726643410a103bac0ac9db1d
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643.0 MB | Download |
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md5:fed1faf69d8f6ab2bdb348816c16d904
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9.9 GB | Download |
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md5:c79f8f9fcaa76847164bf606d2672c6d
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334 Bytes | Download |
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md5:a86859a9c48b0c43284b3d318fa2fb29
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1.2 kB | Download |
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md5:e163a90c2d069565f80d1c2b4857d4ce
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648 Bytes | Download |
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md5:9019ce25a3c53d0085757705f0c9218a
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458 Bytes | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)