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).