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    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.


    Page last modified 18:35, 27 Oct 2009 by JLemkul?