Gromacs

CHARMM

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    CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a both a set of forcefields and a software package for molecular dynamics simulations and analysis. Includes united atom (CHARMM19) and all atom (CHARMM22, CHARMM27) forcefields.  The CHARMM27 force field has been ported to GROMACS and is officially supported as of version 4.5.

    • CHARMM to GROMACS - perl scripts intended to facilitate calculations using GROMACS programs and CHARMM forcefields (needed for GROMACS versions < 4.5).
    Page last modified 10:44, 31 Jul 2010 by JLemkul?