Published March 30, 2015
| Version v1
Dataset
Open
DPPC_Berger_OPLS06_NaCl_scaled
Description
MD simulation trajectory and related files for fully hydrated DPPC bilayer with 150 mM NaCl. The OPLS-AA-compatible Berger-DPPC-06 force field (DOI:10.1088/0953--8984/18/28/S07) was used with Gromacs 4.6.7. Ions were described by the Åqvist parameters. The ion charges were scaled by a factor 0.7. Conditions: T=323K, 72 lipids, 2880 SPC waters, 8 Na, 8 Cl. 120 ns trajectory, last 60 ns analyzed.
Files
density.png
Files
(456.9 MB)
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md5:15551812bd8aa7f74bb187d5fc2012e7
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md5:2a79ede7a7b23df98ca36306f34faea9
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md5:980e8c9b7ac13ee154e7790e0ee047a6
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md5:3e53385332a3a82e58b31d44edbfdaa0
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md5:817e3d0e2f62829139ea006ecee72385
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md5:33fd167316d29c50bdd20d3f2c183010
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265.8 MB | Download |
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md5:3cda04bc7b5f32c8e6816427884f59ed
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md5:a4a69edc9e9692bfb174b56943166d15
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343 Bytes | Download |
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md5:a621ad05fc508f60edf0c4e95b01a8d6
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110.5 MB | Download |
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md5:e4dfd5893c7575b97333f87477b7f8f0
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343 Bytes | Download |
