On 6/15/12 8:45 AM, Nidhi Jatana wrote:
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
This is not a correct installation procedure. Please follow the instructions
at:
http://www.gromacs.org/Documentation/Installation_Instructions
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.
Now you're maintaining two versions of Gromacs, which in itself is not a
problem, as long as your environment is configured correctly, but you have to be
careful in setting that up. I don't have an explanation as to why no commands
are working, but you may have to re-configure your environment to only recognize
one Gromacs installation at a time.
If you no longer need an old version, you can simply remove it.
http://www.gromacs.org/Documentation/Removing_Installation
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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