Title: POPC @ 310K, Model by Ulmschneider and Ulmschneider

Type Dataset Javanainen, Matti (2014): POPC @ 310K, Model by Ulmschneider and Ulmschneider. Zenodo. Dataset. https://zenodo.org/record/13392

Author: Javanainen, Matti (TUT) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Files required for a simulation of a POPC bilayer and the resulting trajectories. The POPC model is that by Ulmschneider and Ulmschneider [1]. The structure and topology files are downloaded from Lipidbook [2]. The files (xtc and mdp) with '_dc' suffix are simulated with dispersion correction applied to both energy and pressure whereas the files without this suffix do not use this correction.

This data is used in the project "Matching lipid force fields with NMR data", see: http://nmrlipids.blogspot.fi 

[1] J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813

[2] http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html

More information

• DOI: 10.5281/zenodo.13392

Dates

• Publication date: 2014
• Issued: December 29, 2014

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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