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1 GROMACS is a versatile and high-performance toolkit for molecular simulations, and extensively used both in biomolecular and materials sciences.
3 The precompiled binary distributions come with threads support for efficient parallelization on multi-core workstations, but if you want to use large-scale MPI parallelization you will need to build from source on the target system due to MPI library compatibility issues.
5 If you have problems, you can find lots of documentation at http://www.gromacs.org. You can also post to the mailing lists, but considering these are very high volume it might be a good idea to use the archive search functionality on the website first.