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Published February 17, 2016 | Version v1
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DPPC_Berger_OPLS06_NaCl_1Mol

  • 1. Aalto University

Description

MD simulation trajectory and related files for fully hydrated DPPC bilayer with 1 M NaCl. The OPLSAA-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. Conditions: T=323K, 72 lipids, 2778 SPC waters, 51 Na, 51 Cl. 120 ns trajectory, last 60 ns analyzed.

Notes

Re-uploaded version of (https://zenodo.org/record/17208) to also include ".tpr" file.

Files

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Files (453.9 MB)

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md5:5bdfe4a1360efc0111ecb447473f3dcf
2.2 kB Download
md5:8157531295caa45d84b35d7fdca04904
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md5:95a59c3249d1b691e98c1f4b92699632
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md5:76c786070c89a92f46153898e6498a6c
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md5:15551812bd8aa7f74bb187d5fc2012e7
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md5:b5831b539f22616c99a7f46ca115ea45
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md5:2a79ede7a7b23df98ca36306f34faea9
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md5:24165e9fc7437fa1182ad33a4e53bdfa
79.2 MB Download
md5:6779e4ce894ce2fb7f1bce5af268904a
830.5 kB Download
md5:362eb89af095ce22047431a227747ef9
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md5:d5aff360f1540ab4b9e93cc280210620
414.8 kB Download
md5:59e35961be931b7e0bbb2d8257aba6aa
262.9 MB Download
md5:9c658d45b49c8f2c0c9135a55869146f
2.2 kB Download
md5:1167226e5300cf1bfefb4d19966b71bb
338 Bytes Download
md5:06e8c1ddbaea488aa24d9fa07cf40a62
110.5 MB Download
md5:7a8851afd8946cc1790d0314a13c8ff5
363 Bytes Download