[gmx-users] gromacs instillation

RAHUL SURESH drrahulsuresh at gmail.com
Thu Apr 11 05:55:35 CEST 2019


On Thu 11 Apr, 2019, 8:39 AM Ali Ahmed, <aa5635737 at gmail.com> wrote:

> Hello GMX users
> I have installed gromacs 2019.1 on Ubuntu 16.04 and everything was well.
> I run: source /usr/local/gromacs/bin/GMXRC and checked the version, it was
> 2019.1.
> When I open a new terminal and hit gmx, it says gromacs is currently not
> installed.

This means gromacs is not installed in the source directory. Simple., You
will know where you have the gromacs executable. Just give that address in
source. Or better set it in bash so you needn't go for source everytime.

> You can install it by typing:  sudo apt install gromacs. When I
> did it, the version became 5.1.2.

That's wrong procedure. If you want 2019 version then you got to start
from scratch. Delete all you preexisting gromacs file and reinstall 2019
Ver. Don't use apt-get.

> Any idea how to solve it!
> Thank you
> Ali
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