Published April 28, 2015
| Version v1
Dataset
Open
DPPC_Berger_OPLS06_NaCl_1Mol_scaled
Description
MD simulation trajectory and related files for fully hydrated DPPC bilayer with 1 M NaCl. The OPLS-AA-compatible Berger-DPPC-06 force field (DOI:10.1088/0953--8984/18/28/S07) was used with Gromacs 5.0.4. Ions were described by the Åqvist parameters. The ion charges were scaled by a factor 0.7. Conditions: T=323K, 72 lipids, 2778 SPC waters, 51 Na, 51 Cl. 120 ns trajectory, last 60 ns analyzed.
Files
density.png
Files
(453.9 MB)
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md5:650d8d88d71b160f2afdd5ade9db8458
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md5:7ed1fb6a1b1db9b1c8b69bd0953942f7
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md5:1d3f876a1807f840ed86ebbe69296be6
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md5:e1ba7c635b3f44ca4f280948b4d0a1f9
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337 Bytes | Download |
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md5:478a193bef9d7874b24a6d31d1eb8d94
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110.5 MB | Download |
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md5:0c1d9c2ef4b24ef5d575b5d7e49bf1cf
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365 Bytes | Download |
