Thank you for your reply.
Yes.
But my question is which is correct?
x =1 (HID) and x=0 (HIE)
x=0 (HID) and x=1 (HIE)
On Wed, Sep 3, 2025 at 8:33 PM Adrian Roitberg <roitberg.ufl.edu> wrote:
> Hi Dulal
>
> Do you understand the difference between HID and HIE, outside the scope
> of constant pH ?
>
> Adrian
>
>
> On 9/3/25 10:58 AM, Dulal Mondal via AMBER wrote:
> > [External Email]
> >
> > 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.*
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> --
> Dr. Adrian E. Roitberg
> Frank E. Harris Professor
> Department of Chemistry
> University of Florida
> roitberg.ufl.edu
> 352-392-6972
>
>
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Wed Sep 03 2025 - 08:30:03 PDT
