VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri May 22 2009 - 16:10:24 CDT

On Fri, 2009-05-22 at 17:31 -0300, Alberto Sergio Garay wrote:
> Dear Axel
>
> I've tried what you you suggest but unhappily it does not work.

dear sergio,

it is impossible to debug a script on "it does not work".

please provide an example that demonstrates what you are
trying to do and then we can try to fix it properly without
having to guess.

>
> Dear Peter
>
> My script selects some molecules in the periodic images of my box
> simulation which are closed to other molecule (my target). I wish my
> script shows me only these selection, which are saved in a variable.

please note that selections are procedures and those cannot
be used as argument for another selection. a suitable replacement
is to use a selection string like this: "index [$sel list]"
or to define an atomselect macro.

cheers,
   axel.

>
> Any help will be greatly appreciated.
>
> Thank you in advance.
>
> Sergio
> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.