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