Energy Minimization
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02:18 PM, July 20, 2007
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Energy Minimization is the way the Universe runs.
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It is a form of multiobjective optimization.
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<b>What can energy minimization do?</b>
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It can repair distorted geometries by moving atoms to release internal constraints, as
shown below:
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<b>What energy minimization cannot do?</b>
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Energy minimization is good to release local constraints, "make room" for a residue, but
it will not pass through high energy barriers and stops in a
<i>local minima</i>
. An example of the limitation is presented below:
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