Does gromacs have any tool to export the z matrix of protein?

01 January 2015 1 7K Report

I need to extract the z matrix or internal coordinate of protein in the gro or trr file. Does gromacs have such build in tool? If no, is there any external tool can do so?

Ulf Hensen

The tool of choice for you would be open babel, which converts between a number of file formats, including pdb z matrix

http://openbabel.org/wiki/Gaussian_Z-matrix_Input

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