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DPPC bilayer after 100 ns - MaRDI portal

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DPPC bilayer after 100 ns

From MaRDI portal



DOI10.5281/zenodo.2595234Zenodo2595234MaRDI QIDQ6697805

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 15 March 2019

Copyright license: No records found.



Description

Equilibrated system of 128 DPPC lipids and 3655 water molecules after 100 ns. Details: Berger united atom lipids (needs lipid.itp and dppc.itp from Peter Tielemans web site at http://moose.bio.ucalgary.ca/). Area per lipid: 0.645 (+/- 0.010) nm2. Also available at: http://www.softsimu.net/downloads.shtml References: Major artifacts due to truncating electrostatic interactions, Michael Patra, Mikko Karttunen, Marja T. Hyvnen, Emma Falck, Peter Lindqvist, and Ilpo Vattulainen, Biophys. J. 84, 3636-3645 (2003) Lipid bilayers driven to a wrong lane in molecular dynamics simulations by truncation of long-range electrostatic interactions, Michael Patra, Mikko Karttunen, Marja T. Hyvnen, Emma Falck, and Ilpo Vattulainen, J. Phys. Chem. B 108, 4485-4494 (2004).






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