VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Feb 18 2013 - 01:46:49 CST

Try the following

same residue as (waters within 10 of index 6094)

Also, if you look carefully I think the you'll find the atoms missing
in the visualization as well with your original selection.

Best regards,

Ajasja

On 18 February 2013 07:56, Sindrila Dutta Banik <sindrila_at_iitk.ac.in> wrote:

> Dear all,
>
> I have a trajectory file, which I loaded into VMD. Now want to save the
> coordinates of waters within 10A separation from the substrate. I am able
> to visualize to this using the following command:
>
> waters within 10 of index 6094
>
> but as soon as I am going to save this coordinates for water which are
> with in 10A it writes few coordinate partially means one O and one H not
> the second one. How to save the coordinates completely.
>
> With best regards
> sindrila
>
>
> --
> Sindrila Dutta Banik
> C/O Prof. A. Chandra
> Project Scientist
> Department of Chemistry
> IIT Kanpur
> UP 208016
>