We need to know more about your calculation .
Can you attach your mm_pbsa.in file?
Can you also show the free energies for receptor, ligand and complex? How do
they agree between PB and GB?
Best,
Ray
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
vanessa wai
Sent: Saturday, December 02, 2006 1:08 AM
To: amber.scripps.edu
Subject: Re: AMBER: MM-PBSA problem
hi. I used Amber 8.
Any ideas?
Thanks,
Vanessa
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Received on Sun Dec 03 2006 - 06:08:08 PST
