Re: [AMBER] continuous constant pH using iphmd=3

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Tue, 25 Jun 2024 10:01:27 +0530

Please anyone help.

On Mon, Jun 24, 2024 at 12:16 PM Dulal Mondal <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:

> Dear Experts,
> I am thinking to run continuous constant pH using iphmd=3. I follow the
> amber 24 manual.
> https://ambermd.org/doc12/Amber24.pdf (28 chapter). But in this manual
> the titratable residues that are mentioned are Asp, Glu, His, Cys, and Lys.
> But I want to titrate Tyr residue.Is it possible?
>
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
>


-- 
*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
Received on Mon Jun 24 2024 - 22:00:01 PDT
Custom Search