[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
  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
solution.

Thanking you

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