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From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sat Sep 13 2008 - 09:09:31 CDT

On Fri, 12 Sep 2008, Rabab Toubar wrote:

RT> Hi everyone,
RT>  

RT> As explaines in the NAMD tutorial, aliasing a histidine residue
RT> depends on whether it is neutral or protonated, and if neutral,
RT> which tautomer. So how can I possibly know what is the state of the
RT> HIS ?

from its pKs? and the intended pH of the environment??

cheers,
    axel.

RT>  
RT> Thanks
RT> Rabab 

-- 
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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
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