<html> <head> <title>MCCCS Towhee (Algorithm)</title> </head> <body bgcolor="#FFFFFF" text="#000000"> <table width="800" border="0" cellspacing="0" cellpadding="0" height="590"> <tr> <td colspan="2" height="29"> <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (Algorithm)</font></b></font></div> </td> </tr> <A href="http://sourceforge.net"> <IMG src="http://sourceforge.net/sflogo.php?group_id=87039&type=5" width="210" height="62" border="0" alt="SourceForge.net Logo" align="right"/> </A> <tr> <td width="18" height="371" valign="top"> <p> </p> <p> </p> </td> <td width="700" valign="top"> <p></p> <b>Summary</b> <ul> This section contains a series of essays discussing topics related to the algorithms that power the Towhee program. </ul> <p></p> <b>Essays</b> <ul> <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. </li> <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. </li> <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> </ul> <p> </p> <a href="../index.html">Return to the main towhee web page</a> </td> </td> </tr> </table> <p></p> <hr width="715" align="left"></hr> <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></br> <i>Last updated:</i> <!-- #BeginDate format:Am1 -->October 21, 2008<!-- #EndDate --> </font> <br></br> </body> </html>