[gmx-users] Problem with running Gromacs v. 5

Alexander Alexander alexanderwien2k at gmail.com
Tue Feb 16 13:03:45 CET 2016

You might need to export the path in your ".bashrc" file

In your case something like:

export PATH=/source/gromacs-5.1.2/build:$PATH

or even

export PATH=/source/gromacs-5.1.2:$PATH

And then refresh your .bashrc by logging out and logging in one time.

Then you can use it where ever you are.


On Tue, Feb 16, 2016 at 9:54 AM, Mehrnoosh Hazrati <
mehrnoosh.hazrati at modares.ac.ir> wrote:

> Dear Gromacs users,
> I had to use newer version of Gromacs, so I install Gromacs 5.1.2 package.
> During installation I got no error. But I have serious problem with using
> it!! Since I always used older version of Gromacs that was somehow user
> friendlier!!
> My problem is how can I run gromacs from an specific folder?!
> My installation path is:
> root at linux:/source/gromacs-5.1.2/build
> Now I want to use it out of root and in my project folder! ( in previous
> version of Gromacs you just use "make lincs" after installation, and that's
> all! It worked wherever you wished!)
> Thank you in advance
> Mehrnoosh
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