Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 30, Issue 12, Pages 1952-1958Publisher
WILEY
DOI: 10.1002/jcc.21172
Keywords
Lipid bilayer analysis; molecular dynamics; lipid bilayer thickness; area per lipid headgroup; tessellation
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Funding
- National Science Foundation [DGE-0333378]
- Institute for Critical Technology and Applied Science (ICTAS)
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GridMAT-MD is a new program developed to aid in the analysis of lipid bilayers from molecular dynamics simulations. It reads a GROMACS coordinate file and generates two types of data: a two-dimensional contour plot depicting membrane thickness, and a polygon-based tessellation of the individual lipid headgroups. GridMAT-MD can also account for proteins or small molecules within the headgroups of the lipids, closely approximating their occupied lateral area. The program requires no installation, is fast, and is freely available. (C) 2008 Wiley Periodicals, Inc. J Comput Chem 30: 1952-1958, 2009
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