Re: [AMBER] how to check protonation state

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 16 Feb 2016 16:25:01 -0500

proteins have pKa values, not pH. You can check this using a server such as
H++, or molprobity, or if you need something very accurate you might think
about doing constant pH MD. most likely H++ will do what you need.
http://biophysics.cs.vt.edu/

On Tue, Feb 16, 2016 at 3:46 PM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
wrote:

> Hi all,
> i want to know how can i check protonation state and PH value of protein
> which i am further using for simulation .
>
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Received on Tue Feb 16 2016 - 13:30:02 PST
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