ific residue number.
>
> Regards
> --
> Sonali Dhindwal
>
>
> --- On *Mon, 27/9/10, Itamar Kass * wrote:
>
>
> From: Itamar Kass
> Subject: Re: [gmx-users] Query regarding protonation and deprotonation of
> some residues
> To: "Discussion list for GROMACS
:
From: Itamar Kass
Subject: Re: [gmx-users] Query regarding protonation and deprotonation of some
residues
To: "Discussion list for GROMACS users"
Date: Monday, 27 September, 2010, 10:07 AM
Hi,
You need to define the protonation sate vie pdb2gmx.
pdb2gmx
Hi,
You need to define the protonation sate vie pdb2gmx.
pdb2gmx -tyr -lys
On 27/09/10 2:34 PM, sonali dhindwal wrote:
Hello All,
I came through this research article, in which author has selectively
deprotonated and protonated some of the residues to simulate the
condition for electrostat
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