AMBER Archive (2007)

Subject: AMBER: methods to approach two atoms

From: Jena M (jeninhas_at_hotmail.com)
Date: Thu Jul 26 2007 - 08:53:09 CDT

Hi all
 
I want to approach an atom of a substrate from an atom of a residue and then calculate the energy barrier. I have been using distance restraints to do this. However I wonder to know if there is another way or method to do this as I would like to compare the results obtained with two different methods.
 
Thanks
Jena
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