MCCCS Towhee (Last1993)



    This section covers Lastoskie et al. parameters as they are implemented into the towhee_ff_Last1993 file in the ForceFields directory.


References for Lastoskie et al.
    This is not a comprehensive force field. It is simply the Lennard-Jones parameters used to represent the dinitrogen (N2) molecule in a Carbon Slit Pore.
Lastoskie et al. in Towhee
    The official force field name for Lennard-Jonesium in Towhee is 'Last1993'. Here I list the only atom names currently in the towhee_ff_Last1993 file, along with a brief description (although the meaning should be obvious). Please note that the capitalization and spacing pattern is important and must be followed exactly as listed here.
    • 'N2' : dinitrogen represented as a single interaction site for the whole molecule.
Coulombic interactions
    This molecule is uncharged.
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Send comments to: Marcus G. Martin
Last updated: September 07, 2005