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<title>MCCCS Towhee (input_style 'nanotube builder')</title>
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</a>MCCCS Towhee (input_style 'nanotube builder')</font></b> </font>
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This section describes the input variables associated with an <b>input_style</b> setting of 'nanotube builder'.
Uses the nanotube builder functionallity to set up the data structures and an initial conformation for carbon nanotubes from the traditional
(m,n) nanotube chiral vector notation.
<p> </p>
<dt><a name="forcefield"><b>forcefield (character*10)</b></a>
<ul>
<li> The forcefield that you want to use to build this molecule.</li>
</ul>
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<dt><a name="atomname"><b>atomname (character*6)</b></a>
<ul>
<li> Atom type for the building block of the nanotube. The atomnames can be found in the documentation for the forcefield of interest.</li>
</ul>
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<dt><a name="qqatom"><b>qqatom (double precision)</b></a>
<ul>
<li>The atomic charge on each atom of the nanotube.</li>
</ul>
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<dt><a name="nanotube_n"><b>nanotube_n (integer)</b></a>
<ul>
<li>The n index of the (n,m) chiral vector describing nanotube geometry.</li>
</ul>
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<dt><a name="nanotube_m"><b>nanotube_m (integer)</b></a>
<ul>
<li>The m index of the (n,m) chiral vector describing nanotube geometry.</li>
</ul>
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<dt><a name="nanotube_ncells"><b>nanotube_ncells (integer)</b></a>
<ul>
<li>The number of repeat cells to create for the nanotube. Must be positive.</li>
</ul>
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<dt><a name="nanotube_bondlength"><b>nanotube_bondlength (double precision)</b></a>
<ul>
<li>The atom bond length used to create the initial structure.</li>
</ul>
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<a href="../index.html">Return to the main towhee 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></br>
<i>Last updated:</i> <!-- #BeginDate format:Am1 -->Decemer 22, 2006<!-- #EndDate -->
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