[gmx-users] Simulation Techniques***Energy minimisation for Small Molecules.

[jaimohan sm]

Helo to all Gromax users...
  I am very interesting to working in small molecules...ie calculating energy in the sense by using thermodynamic laws.
  Is there is any chance to minimise the energy for a small fragment of proteins ..may be ligand binding site or an cavity portion.
  Without disturbing the actual geomentry of the protein structure and function.
  thanks in advance.
  jaimohan sm.
  jai_mohan2003 at yahoo.com

		
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