[AMBER] Can I mix Glycam and Gaff in a small molecule?

From: Liu Denis <cndenis.gmail.com>
Date: Mon, 19 Nov 2012 15:01:37 +0800

Dear Amber members:
    I want to simulate a glycoside which docked to a protein. Can I
apply Glycam to the glycone while Gaff to the aglycone? Will it
produce a better result than using Gaff to the whole glycoside?
  When I mix Glycam and gaff in a small molecule, the charge of the
whole molecule is not zero, does it matter?

   Best Regards
               Denis 
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Received on Sun Nov 18 2012 - 23:30:02 PST
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