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.

    • CHARMM to GROMACS - perl scripts intended to facilitate calculations using GROMACS programs and CHARMM forcefields.
    Page last modified 00:04, 18 Mar 2009 by rossen