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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13787 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp 2015-07-29 14:07:41 +00:00
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doc/fix_shake.txt
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@ -210,6 +210,9 @@ 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.
SHAKE or RATTLE should not be used to contrain an angle at 180 degrees
(e.g. linear CO2 molecule). This causes numeric difficulties.
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