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DPPC bilayer after 100 ns

<p>Equilibrated system of 128 DPPC lipids and 3655 water molecules after 100 ns.</p> <p><strong>Details:</strong> Berger united atom lipids (needs lipid.itp and dppc.itp from Peter Tieleman&#39;s web site at <a href="http://moose.bio.ucalgary.ca/">http://moose.bio.ucalgary.ca/</a>). Area per lipid: 0.645 (+/- 0.010) nm<sup>2</sup>.</p> <p>Also available at: <a href="http://www.softsimu.net/downloads.shtml">http://www.softsimu.net/downloads.shtml</a></p> <p><strong>References:</strong></p> <ol> <li><a href="http://dx.doi.org/10.1016/S0006-3495(03)75094-2">Major artifacts due to truncating electrostatic interactions</a>, Michael Patra, Mikko Karttunen, Marja T. Hyv&ouml;nen, Emma Falck, Peter Lindqvist, and Ilpo Vattulainen, Biophys. J. 84, 3636-3645 (2003)</li> <li><a href="http://dx.doi.org/10.1021/jp031281a">Lipid bilayers driven to a wrong lane in molecular dynamics simulations by truncation of long-range electrostatic interactions</a>, Michael Patra, Mikko Karttunen, Marja T. Hyv&ouml;nen, Emma Falck, and Ilpo Vattulainen, J. Phys. Chem. B 108, 4485-4494 (2004).</li> </ol>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0

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