VMD-L Mailing List

From: agustina_at_cabm.rutgers.edu
Date: Mon Apr 18 2011 - 15:49:09 CDT

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.

Thanks in advance.

Agustina