Gromacs

CHARMM

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    CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a both a set of forcefields and a MDS and analysis software. Includes united atom (CHARMM19) and all atom (CHARMM22, CHARMM27) forcefields.  The CHARMM27 force field is currently being ported to GROMACS and its official inclusion in the package is anticipated in version 4.1.

    • CHARMM to GROMACS - perl scripts intended to facilitate calculations using GROMACS programs and CHARMM forcefields.
    Page last modified 21:41, 3 Nov 2009 by JLemkul?