[gmx-users] gromacs instillation

Ali Ahmed aa5635737 at gmail.com
Thu Apr 11 19:44:42 CEST 2019


I see gmx excutable in /usr/local/gromacs/bin/ and I see GMXRC. Yes, each
terminal I run source /usr/local/gromacs/bin/GMXRC to strat using gromacs.
I kind of confused which one I should modify


On Thu, Apr 11, 2019 at 10:08 AM p buscemi <pbuscemi at q.com> wrote:

> 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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