Fri May 22 2009 Jussi Lehtola Some notes about the GROMACS Fedora package: - In order to prevent name clashes with other software, all binaries have been renamed to start with g_ . For instance grompp is now g_grompp and mdrun is now g_mdrun. - All binaries are available in single and dual precision. The binaries with the _d suffix are double precision versions. For instance g_mdrun is single precision and g_mdrun_d is double precision. - MPI enabled binaries are in gromacs-mpi. These contain, too, both single and double precision versions. Single precision versions have _mpi suffix, double precisin versions _mpi_d suffix. For instance g_mdrun_mpi and g_mdrun_mpi_d. - Debug versions are available of all libraries and binaries with the _debug suffix. For instance the debug version of g_mdrun_mpi_d is g_mdrun_mpi_d_debug. The debug versions have been compiled without assembly loops, so they are much slower than the normal versions.