Installation two GROMACS versions in the same computer

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GROMACS version: 2018 and 2020
GROMACS modification: No
I use this manual to install GROMACS


I want to have on my computer both versions 2018.4 and 2020.2. I had Gromacs 2018.4 on my computer and then I installed 2020.2. Now when I use gmx it shows gromacs 2020.2, so my new GROMACS replace my old GROMACS, but I want them both. What I should do to have both of them. I try to create a virtual environment and install a newer version of GROMACS in a virtual environment, but even when I deactivate my virtual environment newer version of GROMACS replaces my old version. How to switch to an older version?

Thanks in advice.

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If you want multiple versions, each has to be installed in a separate location (if you leave CMAKE_INSTALL_PREFIX as its default value when compiling, you’ll just over-write the existing version, so you need to specify this for at least one version). Then source the appropriate GMXRC each time you want to use the different version.

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Thank you so much @jalemkul I’ve used GROMACS for two years, but still, I need to learn so many new things. You help me a lot and help a lot of other people who use GROMACS by giving a lot of answers. I also started learning GROMACS two years ago with your tutorials, so thanks for all.