Published March 10, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field, 500 mM NaCl
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)