VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Aug 27 2013 - 11:29:58 CDT

Marzieh,
  Most likely AutoDock doesn't use the same coordinate system
that you're assuming in your email below.

Cheers,
  John

On Sat, Aug 24, 2013 at 01:43:56PM +0000, Axel Kohlmeyer wrote:
> This looks like an autodock error and not a vmd issue.
>
> ------Original Message------
> From: Marzieh Dehghan
> Sender: owner-vmd-l_at_ks.uiuc.edu
> To: vmd-l_at_ks.uiuc.edu
> Subject: vmd-l: VMD script
> Sent: Aug 24, 2013 1:54 AM
>
>
>
> hi every body,
>  
> I am using VMD 1.9 and I have a problem. in order to determine center_x , y, z for docking, I used vmd script, after that the amount of x, y, z were obtained -4.59, 17.13, 12.29, respectively. after running autodock, I was confronted this error "search apace dimensions should be positive"
>  
>
> I really appreciate if any one help me with this.
> Best Regards,
> Dehghan
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy. 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/