Running Gromacs with gmxapi

User discussions
1

GROMACS version:2020.5
GROMACS modification: Yes

I have successfully applied gmxapi into my gromacs. However, we are not able find the gmx command.
error: gmx -version

Command ‘gmx’ not found, but can be installed with:…
Please let us know if any complete tutorial available with gmxapi for beginners.
Thank you very much.

2

You need to configure your environment to find GROMACS. In the installation guide:

https://manual.gromacs.org/current/install-guide/index.html#getting-access-to-gromacs-after-installation