VMD-L Mailing List

From: Marcos Sotomayor (sotomayo_at_ks.uiuc.edu)
Date: Fri Mar 10 2006 - 10:00:13 CST

Maybe if you try "protein or ..." instead of "protein and ..."

Marcos

On Fri, 10 Mar 2006, L. Michel Espinoza-Fonseca wrote:

> Hi all,
>
> I've been trying to visualize and save a bunch of structures from a
> trajectory. What I'm trying to get is only the protein + a 5-A shell
> of water around it and save it in a file. I'm using:
>
> set prot5A [atomselect top "protein and (same residue as (resname TIP3
> and within 4.0
> of (protein)))"]
>
> but it doesn't work. when I remove "protein and..." from the line, I
> can visualize the shell of water, but that's all. I've tried to do it
> from different ways, but I haven't succeed... Do you have any
> suggestions?
>
> Thanks!
> Michel
>