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MD simulation trajectory and related files for POPC bilayer (Lipid14, Gromacs 4.5)

  • Samuli Ollila (Creator)
  • Marius Retegan (Creator)

Dataset

Description

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Lipid14 force field (http://dx.doi.org/10.1021/ct4010307), 50ns, T=303K, 72 POPC molecules, 2234 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.
Date made available19 Nov 2014
PublisherZenodo

Dataset Licences

  • Other
  • The NMRlipids project

    Botan, A. (Creator), Favela-Rosales, F. (Creator), Fuchs, P. F. J. (Creator), Javanainen, M. (Creator), Kanduc, M. (Creator), Kulig, W. (Creator), Lamberg, A. (Creator), Loison, C. (Creator), Lyubartsev, A. (Creator), Miettinen, M. (Creator), Monticelli, L. (Creator), Määttä, J. (Creator), Ollila, S. (Creator), Retegan, M. (Creator), Róg, T. (Creator), Santuz, H. (Creator), Tynkkynen, J. (Creator), Girych, M. (Creator), Ferreira, T. M. (Creator) & Topgaard, D. (Creator), Zenodo, 1 Jan 2015

    Dataset

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