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

[Alexander Alexander]

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.

Cheers,
Alex

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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