RE: Protonation state of HIS

From: Blake Charlebois (bdc_at_mie.utoronto.ca)
Date: Wed Aug 10 2005 - 17:44:11 CDT

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Hi,

Experimental data, when available, are helpful.

You should be able to make a good guess using VMD based on the information
here:
http://www.psc.edu/general/software/packages/charmm/tutorial/crowley/histidi
nes.html

There is probably more information in the VMD-L/NAMD-L archives.

Blake

-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of surendra negi
Sent: August 10, 2005 5:57 PM
To: namd-l_at_ks.uiuc.edu
Cc: namd-l_at_ks.uiuc.edu
Subject: namd-l: Protonation state of HIS

Hi all,

 Is there any solution to determine the protonation
state of HIS residue.

thanks in advance

best sn

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