GROMACS is actually quite easy to configure, compile and install, but as most other tasks it might seem a little difficult the first time you have to do it.

Don't worry, though - in this section you'll find detailed step-by-step instructions on how to do it, even if you are not a UNIX expert. You might have to ask your local system administrator about some technical details, and don't hesitate to contact the GROMACS crew or use our mailing lists for installation questions.

Starting with version 3.0, we are using GNU autoconf to provide a configure script. This should make the configuration a lot easier, but there might be some initial bugs we have missed. Please contact us immediately if the script doesn't work on your machine, or if you get an error message you don't understand!

The final installation requires only about 10 Mb if you turn on shared libraries with --enable-shared, or rougly 100 Mb with static libraries (the default). You might need up to 200 Mb of temporary space during the build process.