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The version of GROMACS available in the Ubuntu Software Center? is not the latest available version.

How can I install the latest version of GROMACS without using the Ubuntu Software Center?

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1 Answer 1

Instead of waiting, you can download the latest Gromacs, and install it. Once downloaded, make sure that you have all the prerequisites met, and just press Ctrl+Alt+T on your keyboard to open Terminal. When it opens, navigate to where the file was downloaded (probably the Downloads folder), run the command(s) below:

tar xfz gromacs-4.6.1.tar.gz
cd gromacs-4.6.1
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON
make
sudo make install

For more detailed info, and how to meet the prerequisites, see the Installation Instructions

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Thanks. This is a 'quick and dirty' installation. Somebody please upload the latest version of GROMACS in UBUNTU software center. –  user171386 Aug 15 at 19:24

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