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<div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS
Towhee (Hoyt et al. Cu and Pb)</font></b> </font> </div>
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<td width="697" valign="top"> <b>Overview</b>
<ul>
This section covers the Hoyt <i>et al.</i> copper and lead parameters as they are implemented into the towhee_ff_Hoyt2003
file in the ForceFields directory. All of the Towhee atom types for this force field
are listed, along with a short description of their meanings. This force field was intended for lead and copper.
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 Hoyt <i>et al.</i> Pb and Cu</b>
<ul>
<li><a href="../references.html#hoyt_et_al_2003">Hoyt <i>et al.</i> 2003</a></li>
<li><a href="../references.html#foiles_et_al_1986">Foiles <i>et al.</i> 1986</a> (original source for Cu)</li>
<li><a href="../references.html#lim_et_al_1992">Lim <i>et al.</i> 1992</a> (original source for Pb)</li>
</ul>
<b>Hoyt <i>et al.</i> in Towhee</b>
<ul>
The official force field name for these parameters is 'Hoyt2003'. 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>'Cu'</b> : copper</li>
<li><b>'Pb'</b> : lead</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>
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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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