MD simulation trajectory and related files for POPC/cholesterol (60 mol%) bilayer (Berger model delivered by Tieleman, modified Höltje, Gromacs 4.5)

  • Samuli Ollila (Creator)
  • Tiago Ferreira (Creator)
  • Daniel Topgaard (Creator)

Dataset

Description

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads), Modified Höltje model for cholesterol (http://dx.doi.org/10.1016/S0005-2736(01)00270-X), 50ns, T=298K, 50 POPC molecules, 5782 water molecules, 78 cholesterol molecules. This data is used in http://dx.doi.org/10.1039/C2CP42738A and in the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi. If data is used, please cite [Ferreira et al. <em>Phys. Chem. Chem. Phys.</em>, 2013,15, 1976-1989], the nmrlipids.blogspot.fi project and the original publication related to the force field.
Date made available2014
PublisherZenodo

Dataset Licences

  • Other

Access Dataset

  • The NMRlipids project

    Project Members, N. L. (Creator), 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, 2015

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

    Dataset

Cite this