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MCCCS Towhee (Hoyt et al. Cu and Pb)

 

 

Overview
    This section covers the Hoyt et al. copper and lead parameters as they are implemented into the towhee_ff_Hoyt2003 file in the ForceFields directory. All of the Towhee atom types for this force field are listed, along with a short description of their meanings. This force field was intended for lead and copper. Any discrepencies (especially typos) from the published values are the sole responsibility of Marcus G. Martin, and I welcome feedback on how this implementation compares with other programs.

     

References for Hoyt et al. Pb and Cu Hoyt et al. in Towhee
    The official force field name for these parameters is 'Hoyt2003'. Here I list the atom names for use in the towhee_input file, along with a brief description (although the meaning of the atom names should be obvious). Please note that the capitalization and spacing pattern is important and must be followed exactly as listed here.
    • 'Cu' : copper
    • 'Pb' : lead
Coulombic interactions
    There are generally no coulombic interactions for this potential.
Improper torsions
    This force field does not have improper torsions.
Proteins
    This force field does not have parameters for proteins.
Return to the Towhee Capabilities web page

 


Send comments to: Marcus G. Martin
Last updated: September 07, 2005