遇见数据集

DPPC bilayer after 100 ns

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Zenodo2020-07-29 更新2026-05-25 收录
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Equilibrated system of 128 DPPC lipids and 3655 water molecules after 100 ns. <strong>Details:</strong> Berger united atom lipids (needs lipid.itp and dppc.itp from Peter Tieleman's web site at http://moose.bio.ucalgary.ca/). Area per lipid: 0.645 (+/- 0.010) nm<sup>2</sup>. Also available at: http://www.softsimu.net/downloads.shtml <strong>References:</strong> Major artifacts due to truncating electrostatic interactions, Michael Patra, Mikko Karttunen, Marja T. Hyvönen, 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. Hyvönen, Emma Falck, and Ilpo Vattulainen, J. Phys. Chem. B 108, 4485-4494 (2004).

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Zenodo
创建时间:
2019-03-15
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