[AMBER] continuous constant pH (chapter 28)

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Wed, 3 Sep 2025 20:28:06 +0530

Dear Experts,

I am trying continuous constant pH (chapter 26) of amber24. I can not
understand the definition of HIS residue. For this, two variables are
needed (lambda and x).

If lambda =0 means protonated (HIP), if lambda =1 deprotonated (HID/HIE).

But for the x.

if x =1 (HID) and x=0 (HIE).

I can not understand the x definition. Please provide me with the correct
definition of lambda and x for this. 

-- 
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Wed Sep 03 2025 - 08:00:02 PDT
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