Hi, I gave these commands initially
PATH=$PATH:"/usr/local/gromacs/bin/" (this mentions path to gmx) LD_LIBRARY_PATH=$LD_LIBRARY_PATH:"/usr/local/gromacs/share/gromacs/top" For that, I got the response, gmx: error while loading shared libraries: libfftw3f.so.3: cannot open shared object file: No such file or directory I went through "lib" folder (had mentioned its contents above) and lib64 which contains libgromacs.so.0.0.0 Thanks, Neha -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
