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

Nidhi Jatana nidhijatana at bic-svc.ac.in
Mon Jun 18 08:13:24 CEST 2012

Dear Sir/Madam
Thanks for all the help. I have removed the older version of gromacs and
the new one also and hve reinstalled gromacs again. But I am still
encountering the same problem. I am unable to figure out. First I removed
the installed gromacs and all the links. The set of commands that I have
given to install gromacs are as folllows:
./configure --enable-mpi --program-suffix=_mpi
 make mdrun -j 8
 make install
make install-mdrun
make links
export PATH=$PATH:/usr/local/gromacs/bin/GMXRC
echo $PATH*

Please note that initially I had problems while compiling gromacs so I
reinstalled fftw (version 3.3.2) by giving in the following commands:

*cd fftw-3.3.2
./configure --enable-float --enable-sse --enable-shared
make install*

Please help. I am unable to figure out what's wrong with the installation.

Thanking you

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