[gmx-users] Fwd: Regarding trjorder

[Mark Abraham]

I don't know what you are seeking, a definition of the first shell, or of
"how to analyse."

Mark
On Mar 3, 2014 6:08 AM, "Venkat Reddy" <venkat4bt at gmail.com> wrote:

> Hello,
>
> I have used the trjorder command to order water around 5 Angstrom radius of
> a protein. Can anyone suggest how the obtained pdb file can be used to
> analyse the system considering only this first shell of water around the
> protein?
>
> Please help me in this regard.
>
> Thanks
>
> --
> With Best Wishes
> Venkat Reddy Chirasani
> PhD student
> Laboratory of Computational Biophysics
> Department of Biotechnology
> IIT Madras
> Chennai
> INDIA-600036
>
>
>
> --
> With Best Wishes
> Venkat Reddy Chirasani
> PhD student
> Laboratory of Computational Biophysics
> Department of Biotechnology
> IIT Madras
> Chennai
> INDIA-600036
> --
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