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MD simulation trajectory and related files for POPC bilayer with 950mM NaCl (CHARMM36, Gromacs 4.5)

  • Samuli Ollila (Creator)

Dataset

Description

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC molecules, 2085 water molecules, 37 Na molecules, 37 Cl molecules. This data is used in the NMRLipids II project (nmrlipids.blospot.fi).
Date made available12 Oct 2015
PublisherZenodo

Dataset Licences

  • CC 0

Access Dataset

  • 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

    https://zenodo.org/collection/user-nmrlipids

    Dataset

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