[gmx-users] (no subject)

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Oct 29 19:29:18 CET 2008

Hi Cecilia,

Please give your posts a descriptive title.
Then, this is actually a bash-related issue, which has not much to do
with Gromacs.
But then again, we're nice people :) The thing is that bash wants to have:

export PATH="/usr/local/gromacs/bin:${PATH}"

By the way, you can also use:

source /usr/local/gromacs/bin/GMXRC

which will set the PATH as well as some other relevant environment variables.

Hope it helps,


On Wed, Oct 29, 2008 at 6:52 PM,  <cecilia.rosso at unito.it> wrote:
> Hi! I installed GROMACS on my computer. I try to set up my environment
> adding the line
> export PATH "/usr/local/gromacs/bin:${PATH}"
> in the .bashrc file, but when I open my terminal, the next message appeared:
> bash: export:
> `/usr/local/gromacs/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games':
> not a valid identifier
> Why isn't it a valid identifier? What can I do?
> The second problem is related to the demo tutorial: when I try to run the
> demo of the folder "tutor/gmxdemo" from the C shell the next message
> appeared:
> demo: Command not found.
> I don't know if these 2 problems are related each others or if they are
> not. Can you help me, please?
> Thank you very much,
> Cecilia Rosso
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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