GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory
analysis. It is developed for biomolecules like proteins, but the
extremely high performance means it is used also in several other
field like polymer chemistry and solid state physics. This version has
the dynamic libs and executables; to hack new utility programs you
also need the headers and static libs in gromacs-dev.
This version has been modified for use with pymacs.