GROMACS¶
GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. GROMACS is one of the fastest and most popular software packages available, and can be run on central processing units (CPUs) and graphics processing units (GPUs).
Further details on how GROMACS can be operated can be retrieved in its official website 1.