Gromacs

QMMM

    Version as of 00:12, 24 Aug 2019

    to this version.

    Return to Version archive.

    View current version

    Hybrid Quantum Mechanics-Molecular Mechanics

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

    Resources

    Page last modified 18:34, 27 Oct 2009 by JLemkul?