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The Journal of Membrane Biology

, Volume 247, Issue 11, pp 1137–1140 | Cite as

Lipid Converter, A Framework for Lipid Manipulations in Molecular Dynamics Simulations

  • Per Larsson
  • Peter M. KassonEmail author
Article

Abstract

Construction of lipid membrane and membrane protein systems for molecular dynamics simulations can be a challenging process. In addition, there are few available tools to extend existing studies by repeating simulations using other force fields and lipid compositions. To facilitate this, we introduce Lipid Converter, a modular Python framework for exchanging force fields and lipid composition in coordinate files obtained from simulations. Force fields and lipids are specified by simple text files, making it easy to introduce support for additional force fields and lipids. The converter produces simulation input files that can be used for structural relaxation of the new membranes.

Keywords

Molecular dynamics Lipid bilayers Membrane composition 

Notes

Acknowledgments

We thank Matt Eckler for beta-testing Lipid Converter.

Conflict of interest

None declared.

Funding

This work was supported by an European Union fellowship (Marie Curie) PIOF-GA-2010-275548 to PL and NIH Grant RO1GM098304 to PK.

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  1. 1.Departments of Molecular Physiology and Biological Physics and Biomedical EngineeringUniversity of VirginiaCharlottesvilleUSA

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