Allen William J, Lemkul Justin A, Bevan David R
Department of Biochemistry, Virginia Polytechnic Institute and State University, West Campus Drive, 201 Fralin Biotechnology Center, Blacksburg, Virginia 24061, USA.
J Comput Chem. 2009 Sep;30(12):1952-8. doi: 10.1002/jcc.21172.
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.
GridMAT-MD是一个新开发的程序，用于辅助分析分子动力学模拟中的脂质双层。它读取一个GROMACS坐标文件并生成两种类型的数据：一种描绘膜厚度的二维等高线图，以及基于多边形的单个脂质头部基团的镶嵌图。GridMAT-MD还可以考虑脂质头部基团内的蛋白质或小分子，紧密近似它们占据的侧向面积。该程序无需安装，速度快且可免费获取。
