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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13786 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp 2015-07-29 14:07:02 +00:00
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doc/doc2/fix_shake.html
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@ -226,6 +226,9 @@ which can lead to poor energy conservation. You can test for this in
your system by running a constant NVE simulation with a particular set
of SHAKE parameters and monitoring the energy versus time.
</P>
<P>SHAKE or RATTLE should not be used to contrain an angle at 180 degrees
(e.g. linear CO2 molecule). This causes numeric difficulties.
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none