[gmx-users] gromacs instillation

RAHUL SURESH drrahulsuresh at gmail.com
Thu Apr 11 19:50:46 CEST 2019


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 (
> >
> https://link.getmailspring.com/link/1554995165.local-f06b1bee-57af-v1.5.3-420ce003@getmailspring.com/0?redirect=https%3A%2F%2Fgetmailspring.com%2F&recipient=Z214LXVzZXJzQGdyb21hY3Mub3Jn
> ),
> > the best free email app for work
> > 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
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at
> > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > > posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > > * For (un)subscribe requests visit
> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-request at gromacs.org.
> > > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> > >
> >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list