[gmx-users] Regarding trjorder

[Venkat Reddy]

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?

Thanks

-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036