Published March 8, 2022
| Version v1
Dataset
Open
MD simulation of POPC bilayer with CHARMM36 force field. Full hydration 44 w/l.
Authors/Creators
Description
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with CHARMM36 force field. Full hydration 44 w/l.
Dataset contains simulation files including trajectories (.xtc) (original production.xtc and equilibrated and centered centered-40-500ns.xtc).
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Simulation time: 500 ns
Sampling rate: every 10 ps
Simulation engine: GROMACS 2019.5
Temperature: 300 K
Files
Files
(19.7 GB)
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md5:dc74282355eea0fcfc78385be373953c
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9.0 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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md5:08c4756493352c1e464a0de63f46832f
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156.0 MB | Download |
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md5:c1d4e090ae3248f2560503793da73428
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1.3 MB | Download |
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md5:02d500d6bf9cbccb422215d0bfaa4322
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642.6 MB | Download |
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md5:44a10c18750d5f2fe0450dcc7b9519e7
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9.9 GB | 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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md5:60859273ed796c708db94e8bc191a49a
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364 Bytes | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)