[AMBER] Problem related to the residue template and add ion

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Thu, 9 Jun 2011 17:57:54 +0530 (IST)


I want to study the dynamics of a enzyme complesed with the substrate molecules. In my case one of teh substrate molecule is ATP.

The crystal structure contains the ATP but the residue name is as "HETATOM". So I think, I have to mention the residue template properly first. But for ATP what is the residue template.

I also want to add ion in a particular position. How to do this?

With my best regards
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Received on Thu Jun 09 2011 - 05:30:03 PDT
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