[gmx-users] Normal Mode Analysis

Anirban Ghosh anirbanz83 at yahoo.co.in
Wed Jul 4 08:37:57 CEST 2007

Hi All,
I am trying to energy minimization for a protein in water and minimum energy I am getting is -3.2362996e+07. I want to do normal mode analysis, and its saying that force is not small enough. I am also getting negative eigen values with this run. How can I further minimize my structure in order to perform normal mode analysis? Any suggestion is welcome.


  Anirban Ghosh
  M.Tech Bioinformatics
  University of Hyderabad
  Hyderabad - 500 046
  Andhra Pradesh

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