On 15/06/2012 10:45 PM, 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"
This is not sufficient for making an MPI-aware mdrun. See
http://www.gromacs.org/Documentation/Installation_Instructions
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
This is also not what
http://www.gromacs.org/Documentation/Installation_Instructions says for
you to do.
Mark
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.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
