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Normal Mode Analysis at non-equilbrium structures

  1. Aug 31, 2012 #1
    Hello,
    My question stems from a research project of mine involving taking the normal modes of clusters of molecules from a potential. I was curious of the interpretation that can be made of normal mode vectors at a non-equilibrium structure, i.e something following a MD trajectory beginning at equilibrium. Following the normal mode analysis of a such a structure the vectors resemble those of the system at equilibrium. I understand that the lower frequency modes with imaginary frequencies indicate a transitional mode but do the higher frequency retain any meaning full description of the dynamics? Has anyone see this type of procedure used before?

    Thanks for your time
     
  2. jcsd
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