<html> <head> <title>MCCCS Towhee (Stillinger-Weber Silicon)</title> </head> <body bgcolor="#FFFFFF" text="#000000"> <table width="675" 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 (Stillinger-Weber Silicon)</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="697" valign="top"> <b>Overview</b> <ul> This section covers the Stillinger-Weber Silicon parameters as they are implemented into the towhee_ff_Stil1985 file in the ForceFields directory. All of the Towhee atom types for the Stillinger-Weber silicon force field are listed, along with a short description of their meanings. This force field was intended for solid silicon. Any discrepencies (especially typos) from the published values are the sole responsibility of Marcus G. Martin, and I welcome feedback on how this implementation compares with other programs. <p> </p> </ul> <b>References for Stillinger-Weber silicon</b> <ul> <li><a href="../references.html#stillinger_weber_1985">Stillinger and Weber</i> 1985</a></li> </ul> <b>Stillinger-Weber in Towhee</b> <ul> The official force field name for Stillinger-Weber silicon parameters is 'Stil1985'. Here I list the atom names for use in the towhee_input file, along with a brief description (although the meaning of the atom names should be obvious). Please note that the capitalization and spacing pattern is important and must be followed exactly as listed here. <ul> <li><b>'Si'</b> : silicon</li> </ul> </ul> <b>Coulombic interactions</b> <ul> There are generally no coulombic interactions for this potential. </ul> <b>Improper torsions</b> <ul> This force field does not have improper torsions. </ul> <b>Proteins</b> <ul> This force field does not have parameters for proteins. </ul> <a href="../towhee_capabilities.html">Return to the Towhee Capabilities web page</a> <p> </p> </td> </tr> </table> <hr width="715" align="left"> <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 --> </font> <br> </body> </html>