Title: DPPC_Berger_OPLS06_NaCl_scaled

Type Dataset Määttä, Jukka (2015): DPPC_Berger_OPLS06_NaCl_scaled. Zenodo. Dataset. https://zenodo.org/record/16485

Author: Määttä, Jukka (Aalto University) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

MD simulation trajectory and related files for fully hydrated DPPC bilayer with 150 mM NaCl. The OPLS-AA-compatible Berger-DPPC-06 force field (DOI:10.1088/0953--8984/18/28/S07) was used with Gromacs 4.6.7. Ions were described by the Åqvist parameters. The ion charges were scaled by a factor 0.7. Conditions: T=323K, 72 lipids, 2880 SPC waters, 8 Na, 8 Cl. 120 ns trajectory, last 60 ns analyzed.

More information

• DOI: 10.5281/zenodo.16485

Dates

• Publication date: 2015
• Issued: March 30, 2015

Rights

• https://creativecommons.org/publicdomain/zero/1.0/legalcode Creative Commons Zero v1.0 Universal
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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