Gromacs

QMMM

    Hybrid Quantum Mechanics/Molecular Mechanics

    In QM/MM, part of the system is treated using quantum mechanical (QM) calculations (very time-consuming), while the remainder of the system is treated by using standard molecular mechanics (MM) force fields.  GROMACS provides QM/MM capabilities by interfacing with external QM software.

    Resources

    Page last modified 14:04, 4 Jan 2010 by rossen