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towhee-doc-7.0.1-1.fc14.noarch.rpm

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  <title>MCCCS Towhee (Lastoskie Nitrogen)</title>
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      <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS 
        Towhee (Last1993)</font></b> </font> </div>
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      <p>&nbsp; </p>
      <p>&nbsp;</p>
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    <td width="697" valign="top"> <b>Overview</b> 
      <ul>
        This section covers Lastoskie <i>et al.</i> parameters as they are implemented into the 
	towhee_ff_Last1993 file in the ForceFields directory.
        <p>&nbsp;</p>
      </ul>

      <b>References for Lastoskie <i>et al.</i></b> 
      <ul>
        This is not a comprehensive force field.  It is simply the Lennard-Jones parameters used to 
	represent the dinitrogen (N<sub>2</sub>) molecule in a Carbon Slit Pore.
	<ul>
	  <li><a href="../references.html#lastoskie_et_al_1993">Lastoskie <i>et al.</i> 1993</a></li>
	</ul>
      </ul>	

      <b>Lastoskie <i>et al.</i> in Towhee</b> 

      <ul>
        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.
	<ul>
          <li><b>'N2'</b> : dinitrogen represented as a single interaction site for the whole molecule.</li>
	</ul>
      </ul>

      <b>Coulombic interactions</b> 
      <ul>
        This molecule is uncharged.
      </ul>

      <a href="../towhee_capabilities.html">Return to the Towhee Capabilities web page</a> 
      <p>&nbsp;</p>
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<i><font size="2">Send comments to:</font></i> <font size="2"> 
<a href="mailto:marcus_martin@users.sourceforge.net">Marcus G. Martin</a><br>
<i>Last updated:</i> 
<!-- #BeginDate format:Am1 -->September 07, 2005<!-- #EndDate -->
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