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<title>MCCCS Towhee (Lennard-Jonesium)</title>
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<div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS
Towhee (Lennard-Jonesium)</font></b> </font> </div>
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<td width="697" valign="top"> <b>Overview</b>
<ul>
This section covers Lennard-Jonesium parameters as they are implemented into the towhee_ff_LJium file in the
ForceFields directory.
This force field exists to do very simple models, mostly for comparison with older simulations or theory.
<p> </p>
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<b>Lennard-Jonesium in Towhee</b>
<ul>
The official force field name for Lennard-Jonesium in Towhee is 'LJium'. Here I list all of
the Lennard-Jones atom names currently in the towhee_ff_LJium 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>'lj1.0'</b> : a Lennard-Jones sphere with a 1.0 diameter and an epsilon of 1 K.
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<b>Coulombic interactions</b>
<ul>
It is possible to combine the Lennard-Jones potential with point charges. Simply assign the point charges to the
atoms as you see fit.
</ul>
<b>Improper torsions</b>
<ul>
There are no improper torsions set up specifically for Lennard-Jones spheres.
</ul>
<b>Proteins</b>
<ul>
There are no features to build proteins out of Lennard-Jones spheres.
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<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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