[gmx-users] gromacs instillation

[RAHUL SURESH]

Are you following the quick and dirty Installation or modify your
compilation?

On Thu 11 Apr, 2019, 11:20 PM RAHUL SURESH, <drrahulsuresh at gmail.com> wrote:

>
>
> 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
>> > > > --
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>