Published October 7, 2020
| Version v1
Dataset
Open
CHARMM36 simulations of pure POPC bilayer and a bilayer containing 50% of cholesterol, T=303K
Description
Simulation of POPC and 50%POPC+50%cholesterol bilayer in full hydration (40 water/lipid) at T=303K in NPT ensemble. Simulations where done on GPU Gromacs 2020.1. The initial configurations and force field (CHARMM36) were dowloaded from CHARMM-GUI. Simulation uses Parrinello-Rahman barostat and Nose-Hoover thermostat.
Files
Files
(26.4 GB)
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md5:66dbdc3d54e4a9438590bb029c6e0feb
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2.1 MB | Download |
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md5:4c54a079fe7c8d9f3082185b14cb6856
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818.6 kB | Download |
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md5:452db5284213fc140d1d1a9b92aa52fb
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9.5 GB | Download |
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md5:24d16d472c76f35a2a294601219e443a
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3.8 MB | Download |
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md5:7e3322896779dac0f1b586aab7558b2f
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1.4 MB | Download |
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md5:05772cd223cde6eb77fcd83f470dc3e8
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16.9 GB | Download |