[gmx-users] Hessian Matrix Doubt

Anirban Ghosh anirbanz83 at yahoo.co.in
Fri Aug 3 07:55:34 CEST 2007

Hi All,
I want to go for Normal Mode Analysis of a protein in water. I have done the energy minimization of the protein with water molecules. But now I want to calculate the Hessian Matrix with only the protein molecules and not the water molecules. Please tell me how to do that. Is there any option in GROMACS?
Please suggest.


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

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