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gromacsplotter

GROMACS natively produces xvg output files for use with xmgrace. I don't like that too much, so this is a quick and incomplete way to plot those output files with matplotlib.

Install

Download or clone the files, change to the gromacsplotter's top level directory and type

$ python setup.py install

You might need root access for that, or you can use the --user option to install only for your account.

Command Line Script

Since this is about quickly plotting the xvg output, a command line script is provided. After install, it should be in your PATH, so that you can use

$ gromacsplotter <name-of-xvg-file>

to create a plot. There are currently no options or arguments implemented. It will plot all the columns found in the file against the first column, and will try to read the axis labels and title from the xvg file.

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Read xvg files created with GROMACS for plotting with matplotlib

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