Published January 7, 2015
| Version v1
Dataset
Open
MD simulation trajectory and related files for POPC bilayer (GAFFlipid, Gromacs 4.5)
Creators
- 1. Aalto University
- 2. Max Planck Institute for Chemical Energy Conversion, Mlheim an der Ruhr, Germany
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (http://dx.doi.org/10.1039/C2SM26007G), 30ns, T=303K, 126 POPC molecules, 3948 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi. If data is used, please cite nmrlipids.blogspot.fi project and the original publication of the parameters: Dickson et al. Soft Matter, 2012,8, 9617-9627 http://dx.doi.org/10.1039/C2SM26007G.
Files
Files
(1.9 GB)
| Name | Size | Download all |
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md5:9d989f4c089ffda1e90ec49220e0866c
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2.0 MB | Download |
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md5:8565bbfc6b9b873265ffc27a284ba8b3
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10.4 kB | Download |
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md5:82bf2e01fa349992aa411079a87d4ef4
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91.1 kB | Download |
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md5:02862719cb46d3015387101df262ed49
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110 Bytes | Download |
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md5:865594210b0331fadc67145bf6e4ee93
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729.3 kB | Download |
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md5:ee0763328c39685e07bc06fff869904e
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1.9 GB | Download |
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md5:8d846e776c312353ace9cda67d370634
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802 Bytes | Download |
Additional details
References
- nmrlipids.blogspot.fi
- Dickson et al. Soft Matter, 2012,8, 9617-9627 http://dx.doi.org/10.1039/C2SM26007G