From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Apr 18 2011 - 16:20:51 CDT

On Mon, Apr 18, 2011 at 4:49 PM, <agustina_at_cabm.rutgers.edu> wrote:
> Hello,
>
> I want to select all water molecules within a given distance from the
> protein, so I'm using the following command:
>
> "resname WAT and within 2 of protein"
>
> However, this selects only the individual atoms H or O of the water
> molecule that are within 2 ang. I would like to select the entire water
> molecule, even though only one of the three atoms are within 2 ang of the
> protein.

just prefix your selection with: same residue as
that will select entire residues, i.e. water molecules.

axel.

> Thanks in advance.
>
> Agustina
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.