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

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  <title>MCCCS Towhee (Algorithm)</title>
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     <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (Algorithm)</font></b></font></div>
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   <A href="http://sourceforge.net"> 
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     <p>&nbsp; </p>
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     <b>Summary</b> 
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      This section contains a series of essays discussing topics related to the algorithms that power the Towhee program.
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     <b>Essays</b>
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      <li><a href="montecarlo.html">Monte Carlo primer</a> with general background information about the Monte Carlo method.  A good place to start
       if you are relatively new to molecular simulation.
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      <li><a href="chemicalpotential.html">Chemical Potential</a> detailed description of the many slightly different flavors of Chemical Potential computed
       in Towhee.  Please read this essay before you attempt a Grand Canonical simulation.  Chemical potential of polyatomic molecules is a complex topic
       and one that leads to a great deal of confusion and mistakes.
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      <li><a href="cbmc.html">Configurational-bias Monte Carlo</a> is the primary algorithm used to sample molecule conformations in Towhee.</li>
      <li><a href="pressure.html">Pressure</a> detailed description of the different algorithms used to compute pressure in Towhee.</li>
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     <p>&nbsp;</p>
     <a href="../index.html">Return to the main towhee web page</a> </td>
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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>
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   <i>Last updated:</i> <!-- #BeginDate format:Am1 -->October 21, 2008<!-- #EndDate -->
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