Wed Feb 24 2016
Dominik Mierzejewski

Some notes about the Fedora GROMACS package:

- Per upstream change, since version 5.1, we're no longer shipping
any g_* binaries or symlinks. All functionality is now available
in the main gmx binary. For instance, g_anadock is replaced with
gmx anadock.

- All binaries are available in single and dual precision.
The binaries with the _d suffix are double precision versions.
For instance, gmx is single precision and gmx_d is double
precision.

- MPI enabled binaries are compiled for both MPICH and OpenMPI
and available in gromacs-mpich and gromacs-openmpi subpackages,
respectively. These, too, contain both single and double precision
versions. Single precision versions have _mpich (_openmpi) suffix,
while double precision versions have _mpich_d (_openmpi_d) suffix.
For instance g_mdrun_mpich (g_mdrun_openmpi) and g_mdrun_mpich_d
(g_mdrun_openmpi_d).