Dear Experts,
Thanks for your reply.
I have used APBS in VMD to plot electrostatic potential surface. But I am
trying to calculate the potential value.
---------- Forwarded message ---------
From: Steinbrecher, Thomas <thomas.steinbrecher.roche.com>
Date: Mon, 26 Jun, 2023, 4:14 pm
Subject: Re: [Sender Not Verified] [AMBER] Electrostatic potential
calculation of the active site
To: Dulal Mondal <babunmondal.chem.kgpian.iitkgp.ac.in>
Hi Dulal,
Im not an expert on electrostatics calculations, but I think you'd have to
be more precise in your question to get a meaningful answer on this mailing
list. What exactly are you trying to calculate and what did you try so far?
Kind Regards,
Thomas
On Mon, Jun 26, 2023 at 12:28 PM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:
> Dear Users,
>
> I have a protein system. I am trying to calculate some selected residues'
> total electrostatic potential values (like Tyr-7, His-94, and His-96). How
> can I calculate the electrostatic potential value?
>
> Thanking you in advance
> *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. Thomas Steinbrecher*
Principal Scientist CADD
Roche Pharma Research and Early Development
Roche Innovation Center Basel
F. Hoffmann-La Roche Ltd
Bldg. 092/3.92
Grenzacherstrasse 124
4070 Basel
Switzerland
Phone +41 61 682 1319
mailto: thomas.steinbrecher.roche.com
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Received on Mon Jun 26 2023 - 04:30:02 PDT
