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Published February 20, 2015 | Version v1
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MD simulation trajectory and related files for DPPC bilayer (GAFFlipid, Gromacs 4.5)

  • 1. Aalto University
  • 2. Max Planck Institute for Chemical Energy Conversion

Description

Equilibrated DPPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (http://dx.doi.org/10.1039/C2SM26007G), 50ns, T=323K, 72 DPPC molecules, 2197 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)

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md5:7c4e8f8aeaabcdf96e3a21a9d09729f5
89.9 kB Download
md5:98d43319b79c3977355c74eaf3d7279e
107 Bytes Download
md5:1f01fa6d145d6a5c9ed35d2dc0ca8457
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md5:8bad23417c215c2227461dd193f6572c
421.4 kB Download
md5:f205fba5b6962165475961da9685720f
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md5:f70e44917dc595d57acff49ba45781fa
10.4 kB Download
md5:ecc59c5dc91a4a4312b55464dd426370
802 Bytes Download