[gmx-users] gromacs instillation

[RAHUL SURESH]

On Thu 11 Apr, 2019, 11:15 PM Ali Ahmed, <aa5635737 at gmail.com> wrote:

> 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
>

If that is your executable directory, then there is nothing to modify. What
error actually you get?

Please try the command gmx_mpi after source command. (A wild guess)

Thank you



>
> 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
> >
> > Sent from Mailspring (
> >
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> ),
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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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