Published March 10, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field, 500 mM NaCl
Authors/Creators
Description
MD simulation of POPC bilayer with CHARMM36 force field, 500 mM NaCl
Dataset contains simulation files including centered and equilibrated trajectory Nacl500mM-60-500ns.xtc.
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Salt: NaCl
Concentration: 500 mM
Number of cations: 80
Simulation time: 500 ns
Simulation engine: GROMACS 2019.5
Temperature: 300 K
Files
Files
(19.4 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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md5:5a4f4959f5e46d9a0c323410a981a7dd
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8.7 GB | Download |
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md5:441ade57746cc3fd828e465b89f467b1
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38.6 kB | Download |
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md5:6ccf0339d362b87b97d40bd52952db97
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156.0 MB | Download |
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md5:cba9ebcae1eca12f39796b501ee2a66d
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3.7 MB | Download |
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md5:f31f033c795f3b8968c37d3380705960
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1.3 MB | Download |
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md5:d6818082dc29b008c95393d3aa2e0def
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644.5 MB | Download |
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md5:a56638207e4c24591e7b022799e0341d
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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:e64aa7879673225469a8b255d9d698f2
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453 Bytes | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)