AMBER: protonation

From: Nikolai Smolin <smolin.steak.chemie.uni-dortmund.de>
Date: Tue, 03 Feb 2004 10:50:23 +0100

Dear Amber users:

I have question about protonation state of amino acids in low hydration
state of protein.
Which amino acids must be charged when we have in our system : protein
and 100-500 water molecules?

Thanks in advance.
Nikolai Smolin. 

-- 
Dipl.-Phys. Nikolai Smolin
Physikalische Chemie I
Universitaet Dortmund
Otto-Hahn-Str. 6
44221 Dortmund
Germany
Tel:     +49 / 231 / 755 3929
Fax:     +49 / 231 / 755 3901
E-mail:  smolin.pci.chemie.uni-dortmund.de
E-mail:  nikolai.smolin.uni-dortmund.de
www: http://pci.chemie.uni-dortmund.de/~smolin/
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Received on Tue Feb 03 2004 - 09:53:00 PST
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