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

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  <title>MCCCS Towhee (Gordon)</title>
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      <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS 
        Towhee (Gordon)</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 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.
      </ul>
      <b>References for Gordon</b> 
      <ul>
        Nothing yet to report.
      </ul>	
      <b>Gordon in Towhee</b> 
      <ul>
        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.
	<ul>
          <li><b>'CH4_3'</b> : methane taken from the TraPPE-UA potential</li>
	</ul>
      </ul>
      <b>Coulombic interactions</b> 
      <ul>
        Nothing yet to report.
      </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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