Persistent Issue: GROMACS Installation Troubles

User discussions
1

Despite multiple reinstallations, I consistently face a recurring problem with GROMACS installation. The gmx command is not recognized after each reboot of my laptop. I’ve checked the installation directory and ensured proper configuration of environment variables like PATH, yet the issue persists. Seeking insights and solutions from the GROMACS community to diagnose and resolve this persistent challenge. Any assistance would be appreciated.

i’m using WSL ubunto to run gromacs in windows 11.

error details:
~$ gmx --version

Command ‘gmx’ not found, but can be installed with:

sudo apt install gromacs

2

There is a GMXRC file that needs to be sourced to set the correct paths in your environment. This is also mentioned in https://manual.gromacs.org/documentation/current/install-guide/index.html. The command you need to put in, e.g., ~/.bashrc is source /your/installation/prefix/here/bin/GMXRC, where the installation location is depending on where you installed it, such as source /usr/local/gromacs/bin/GMXRC (if you have installed to a default location).

1 Like
3

thanks, it’s working now