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MCCCS Towhee (Vink et al. silicon)

 

 

Overview
    This section covers the Vink et al. silicon parameters as they are implemented into the towhee_ff_Vink2001 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 solid silicon. 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 Vink et al. silicon Vink et al. in Towhee
    The official force field name for Vink et al. silicon parameters is 'Vink2001'. 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.
    • 'Si' : silicon
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.
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Send comments to: Marcus G. Martin
Last updated: September 07, 2005