[gmx-users] Regarding gromacs installation

Dinesh Mali dmali085 at gmail.com
Thu Sep 4 08:01:41 CEST 2014

Dear Sathya,

You might have done this but anyway I do the installation using following

export CMAKE_PREFIX_INSTALL=/share/apps/fftw/3.3.4-gcc-4.8.2
-DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs/5

make -j16
make install

I make sure that the install path is in env. var. $PATH
export PATH=$PATH:/share/apps/gromacs/5

Dinesh Mali

On Wed, Sep 3, 2014 at 10:02 PM, Sathya <bti027.2008 at gmail.com> wrote:

> Hi
> I have installed cmake version and gromacs 4.6.3 in centOS. During
> installation there was no error. But i didnt get information like Gromacs
> has been successfully installed. When i use pdb2gmx or mdrun commands it is
> showing "command not found". I dont know what is the problem and how should
> i rectify it. Please help me to solve this.
> --
> With regards,
> Sathya.B
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Dinesh Mali
Systems Engineer
Locuz Enterprise Solutions Ltd.

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