[gmx-users] gromacs instillation

p buscemi pbuscemi at q.com
Thu Apr 11 17:07:48 CEST 2019


when you open a new terminal you need to run " source" again, but you probably know this by now
or
add the path to your /etc/.profile to make the change permanent

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On Apr 11 2019, at 1:45 am, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi,
>
> Each shell you open needs to be told how to find GROMACS, per
> http://manual.gromacs.org/documentation/current/install-guide/index.html#getting-access-to-gromacs-after-installation
>
> Mark
> On Thu., 11 Apr. 2019, 05:09 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. You can install it by typing: sudo apt install gromacs. When I
> > did it, the version became 5.1.2.
> >
> > Any idea how to solve it!
> > Thank you
> > Ali
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