VMD-L Mailing List

From: Bjørnar Jensen (bje076_at_ift.uib.no)
Date: Mon Feb 18 2013 - 02:04:47 CST

Hello,

your selection is not complete. You're only selecting (the) parts of the
water molecules
that are within 10Å of index 6094. The selection you want to make is this:

same resid as (waters within 10 of index 6094)

I would advise you to read up on selections in the user manual.

Best regards,
Bjørnar.

On 2013-02-18 07:56, Sindrila Dutta Banik 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
>
>