Make GROMACS available to all users

User discussions
1

GROMACS version: 2022
GROMACS modification: No
Here post your question

Hello All,

Previously I used to get the software installed by the admin and were available to all users.
Recently I installed GROMACS but it is not available to other users.

user2@server] $ gmx
bash: gmx: command not found…

user2@server] $ gmx --version
bash: gmx: command not found…

Please suggest me how to make it available to other users as well.

Thanks in advance

2

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

You can also very simply add the GROMACS path to your .bashrc (or equivalent).

3

Hi @jalemkul Thanks

I have already source /usr/local/gromacs/bin/GMXRC written at the end of .bashrc and /etc/profile.d file and have done source .bashrc but no luck.

4

Also I have to do source /usr/local/gromacs/bin/GMXRC every time login into terminal.

5

You don’t have to manually source it every time you log in, you can add it to .bashrc to have it done automatically.