Published March 9, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field, 200 mM NaCl
Authors/Creators
Description
MD simulation of POPC bilayer with CHARMM36 force field, 200 mM NaCl
Dataset contains simulation files including centered and equilibrated trajectory Nacl200mM-45-500ns.xtc.
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Salt: NaCl
Concentration: 200 mM
Number of cations: 32
Simulation time: 500 ns
Simulation engine: GROMACS 2019.5
Temperature: 300 K
Files
Files
(19.7 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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md5:7bebffec97bd8ab4c1a0a22f9aefb8f6
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9.0 GB | Download |
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md5:441ade57746cc3fd828e465b89f467b1
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38.6 kB | Download |
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md5:bdef2d2a66950462a8459cec06dfa228
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156.0 MB | Download |
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md5:af7970a51c60e893710bf9e96955441e
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3.7 MB | Download |
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md5:1e9e6efe1dcb8e867c0863e6ec480741
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1.3 MB | Download |
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md5:8975de4710d96f9d4b5f0792ddb85f5d
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643.4 MB | Download |
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md5:c2e28f978b27bec16f7d960c0594afb0
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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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md5:2b56b656be5c63eccfacd9943a92ef25
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457 Bytes | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)