[gmx-users] problem regarding installation of gromacs-4.5.5

Nidhi Jatana nidhijatana at bic-svc.ac.in
Fri Jun 15 14:45:19 CEST 2012

Dear Sir/Madam

I checked up in the system, there was one version of gromacs in /opt/bio/.
I removed that and I reinstalled gromacs using the following commands:
tar -xvf gromacs-4.5.5.tar.gz
 cd gromacs-4.5.5
  ./configure --program-suffix="_mpi"
  make mdrun -j 8
 make install
   make install-mdrun
   make links

But now, its not running any commands. I made links and I made entry into
the .bashrc file by putting up the following command:
export GMXRC=/usr/local/gromacs/bin/GMXRC

Now, I am unable to run any coomand of gromacs. What could be the possible

Thanking you

Nidhi Jatana
Senior Research Fellow
Bioinformatics Center
Sri Venkateswara College
(University of Delhi)
Dhaula Kuan
New Delhi-110021.
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