VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Oct 20 2006 - 10:45:11 CDT

On Thu, 19 Oct 2006, Myunggi Yi wrote:

> Dear vmd users,
>
> set list2 [$sel2 list]
> set min 100.0
>
> foreach atom1 $crd1 id1 $list1 {
> foreach atom2 $crd2 id2 $list2 {
> set dist($id1,$id2) [veclength [vecsub $atom2 $atom1]]
> set min [mymin $min $dist($id1,$id2)]
> }

> # delete variables
> lvarpop crd1
> lvarpop crd2

     why these two lines?

> }
> puts $fout "[expr ($i + 1)*10] $min"
>
> lvarpop list1
> lvarpop list2

      the same here.

> }
> close $fout

to clean up you can delete the selections here
and unset the variables.

cheers,
   axel.

> ++++++++++++++++++++++++++++++++++++++++++++++++
>
> I've got the following error message.
>
>
> vecsub: two vectors don't have the same size
>
>
> What's wrong in the script?
> Any help will be appreciated.
>
>
> 

-- 
=======================================================================
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.