GROMACS:
The Next Generation
The best of Tinker and Gromacs
We
are now developing a new core, which incorporates
the capabilities of Tinker and Gromacs. In particular, we
are adding the continuum solvent methods and computational
drug design methodology we developed for Tinker. This
should lead to the best of both worlds: the speed of Gromacs and
the flexibility of Tinker. This will allow us to perform some radically
new calculations, especially for protein folding, RNA folding, and
drug design.
Look for a beta test of this new core in the coming weeks.