Published March 7, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field. 20 w/l.
Authors/Creators
Description
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with CHARMM36 force field. 20 w/l.
Dataset contains simulation files including trajectories (.xtc) (original production.xtc, and equilibrated and centered centered-pbcmol-100-500ns.xtc).
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 4000
Simulation time: 500 ns
Sampling rate: every 10 ps
Simulation engine: GROMACS 2019.5
Temperature: 300 K
Files
Files
(13.6 GB)
| Name | Size | |
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md5:bb9042ee919f4dc12953d412ec8d9145
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5.7 GB | Download |
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md5:6943cdf3ae3c7b5a3a99c9e54d4a9b6e
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24.0 kB | Download |
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md5:441ade57746cc3fd828e465b89f467b1
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38.6 kB | Download |
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md5:cb7846cb17b3376bbc4d047ab079350f
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156.0 MB | Download |
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md5:7b186193acf8546372c5ca054469ea91
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2.7 MB | Download |
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md5:3bf0fc4cafa6dc97596bba220d6f58e9
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975.3 kB | Download |
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md5:62a39e1f704aa985cc96593af5ce7881
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466.6 MB | Download |
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md5:6236945c72a7f8e3b71451595995b14b
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7.2 GB | Download |
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md5:c6d9e708d0b3d06eb010f4cfedab9a55
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1.2 kB | Download |
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md5:e163a90c2d069565f80d1c2b4857d4ce
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648 Bytes | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)