GROMACS 4.5.6
- Include cleared bug reports
GROMACS 4.6
Several important performance improvements, a few new features, for details look here.
GROMACS 5.0
- C++ default
- CMake is required, automake - removed
- CTest/CDash/CPack for testing and packaging
- Doxygen documentation, cleanup
- Test suite to assure that old features don't break when new are added
- Benchmarking suite
- GPU development