GROMACS is one of the major software packages for the simulation of biological macromolecules. It is aimed at performing the simulation of large, biologically relevant systems, with a focus on both being efficient and flexible to allow the research of a number of different systems.
It is also one of the most widely used scientific software packages in the world, it is the largest free software and open source application in biomolecular research, and the only one of the major molecular dynamics simulation packages where development is led in Europe. GROMACS can use thousands of cores and hundreds of accelerators efficiently in parallel, enabling researchers to study large and complex biomolecular systems using supercomputing infrastructures.
