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MCCCS Towhee (Gordon)

 

 

Overview
    This section covers a force field parameterized to work with the Gordon n-6 potential. Right now this is mostly a placeholder, but efforts are currently underway to determine parameters for several functional groups. Check back later and see if any progress has occurred.
References for Gordon
    Nothing yet to report.
Gordon in Towhee
    The official force field name for Gordon in Towhee is 'Gordon'. Here I list all of the atom names for use in the towhee_input file, along with a brief description. Please note that the capitalization and spacing pattern is important and must be followed exactly as listed here.
    • 'CH4_3' : methane taken from the TraPPE-UA potential
Coulombic interactions
    Nothing yet to report.
Return to the Towhee Capabilities web page

 


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