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dihedral_style_hybrid.html

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<H3>dihedral_style hybrid command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>dihedral_style hybrid style1 style2 ...
</PRE>
<UL><LI>style1,style2 = list of one or more dihedral styles
</UL>
<P><B>Examples:</B>
</P>
<PRE>dihedral_style hybrid harmonic helix
dihedral_coeff 1 harmonic 6.0 1 3
dihedral_coeff 2 helix 10 10 10
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>hybrid</I> style enables the use of multiple dihedral styles in one
simulation. An dihedral style is assigned to each dihedral type. For
example, dihedrals in a polymer flow (of dihedral type 1) could be
computed with a <I>harmonic</I> potential and dihedrals in the wall
boundary (of dihedral type 2) could be computed with a <I>helix</I>
potential. The assignment of dihedral type to style is made via the
<A HREF = "dihedral_coeff.html">dihedral_coeff</A> command or in the data file.
</P>
<P>In the dihedral_coeff command, the first coefficient sets the dihedral
style and the remaining coefficients are those appropriate to that
style. In the example above, the 2 dihedral_coeff commands would set
dihedrals of dihedral type 1 to be computed with a <I>harmonic</I>
potential with coefficients 80.0, 1.2 for K, d, n. Dihedral type 2
would be computed with a <I>helix</I> potential with coefficients 10.0,
10.0, 10.0 for A, B, C.
</P>
<P>A dihedral style of <I>none</I> can be specified as an argument to
dihedral_style hybrid and the corresponding dihedral_coeff commands,
if you desire to turn off certain dihedral types.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "dihedral_coeff.html">dihedral_coeff</A>
</P>
<P><B>Default:</B> none
</P>
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