[gmx-users] ERROR IN EXECUTION ---GMX
tasneemkausar12 at gmail.com
Mon Aug 28 11:04:19 CEST 2017
If you are using linux and gromacs is installed in /user/local/bin check
in the last line of the file add
and save this.
On Mon, Aug 28, 2017 at 12:08 PM, Neha Gupta <nehaphysics17 at gmail.com>
> I gave these commands initially
> PATH=$PATH:"/usr/local/gromacs/bin/" (this mentions path to gmx)
> For that, I got the response,
> gmx: error while loading shared libraries: libfftw3f.so.3: cannot open
> shared object file: No such file or directory
> I went through "lib" folder (had mentioned its contents above) and lib64
> which contains libgromacs.so.0.0.0
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