GROMACS

GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. It was originally developed in the Biophysical Chemistry department of the University of Groningen and is now maintained by contributors in universities and research centers worldwide. GROMACS is one of the fastest and most popular software packages available and can run on central processing units (CPUs) and graphics processing units (GPUs). It is free, open-source software released under the GNU General Public License (GPL),[3] and starting with version 4.6, the GNU Lesser General Public License (LGPL).