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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8200 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-01 16:41:20 +00:00
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doc/compute_temp_region.html
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@ -73,11 +73,13 @@ fixes can operate on a geometric region of atoms, as defined by this
compute.
</P>
<P>Unlike other compute styles that calculate temperature, this compute
does NOT currently subtract out degrees-of-freedom due to fixes that
constrain molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and
<A HREF = "fix_rigid.html">fix rigid</A>. If needed the subtracted
degrees-of-freedom can be altered using the <I>extra</I> option of the
<A HREF = "compute_modify.html">compute_modify</A> command.
does not subtract out degrees-of-freedom due to fixes that constrain
molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and <A HREF = "fix_rigid.html">fix
rigid</A>. This is because those degrees of freedom
(e.g. a constrained bond) can straddle the region boundary, and hence
the concept is somewhat ill-defined. If needed the number of
subtracted degrees-of-freedom can be set explicitly using the <I>extra</I>
option of the <A HREF = "compute_modify.html">compute_modify</A> command.
</P>
<P>See <A HREF = "Section_howto.html#howto_16">this howto section</A> of the manual for
a discussion of different ways to compute temperature and perform