RE: AMBER: MM-PBSA problem

From: Ray Luo <rluo.uci.edu>
Date: Sat, 2 Dec 2006 07:55:46 -0800

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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