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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