sci-chemistry ottxor@gentoo.org Christoph Junghans Enable cuda non-bonded kernels More precise calculations at the expense of speed Single precision version of gromacs (default) Enable sse4.1 acceleration Enable 128bit avx with fma (e.g. AMD BullDozer) Enable 256bit avx (e.g. Intel Sandy Bridge) Enable gromacs partly offensive quotes Add acceleration through sci-libs/openmm Use sci-libs/mkl for fft, blas, lapack routines