Hi All:
Finally, I was able to calculate solvent accessible surface area (SASA) using options gbsa=2 and surften=1 over the entire trajectory. I observed from the output that SASA does change from frame to frame. Now, I want to isolate residues of the protein which are responsible for the change in SASA from one frame to another. Is there a way to do this or is it possible somehow?
Thank you.
Deepa
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Received on Sun Sep 07 2008 - 06:07:53 PDT
