Dear Amber users,
I want to study the pathway and energetics of refolding of a loop in the
presence of an inhibitor. I have crystal structures for both structures
i.e refolded (with inhbitor) and non-refolded forms (without inhibitor).
I came across from literature and Amber manual that Steered MD and
Targeted MD are the two methods that can be used for this kind of
problems. But, I am unsure as to which method would be better suited to
study this particular problem.
Any suggestions are highly welcome.
Thanks in advance for reply.
Rafi
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Received on Thu Apr 15 2010 - 09:30:03 PDT
