[Dock-fans] Demo failed on WIN xp

Philip Crawford p.crawford at unsw.edu.au
Wed Oct 5 00:09:51 PDT 2005


Le
If you run it from the demo folder, the relative path should work. Each
"../" takes you up one folder level. IF the folder "demo" is at the same
level as the folder "parameters", you should edit the dock.in file to remove
one ../
So, for example, if you are in the demo folder, the command line would be:
../bin/dock5 -i dock.in -o ../abc.out
to put your output file in the same place as you did with the way you
executed.
You will probably need to check the path for each of the parameters files.
Assuming that bin, parameters and demo are at the same directory level, you
will only need
../parameters/vdw_AMBER_parm96.defn
If you execute as you did before and the parameters is at the same directory
level as the bin and demo directories, you need to take both lots of ../'s
out of the dock.in file.
 
Cheers,
 
Phil
__________________________________________________
Philip Crawford, B. Comp. Sc., MIEEE
Structural BioInformatics and Drug Design Group
http://www.sbio.med.unsw.edu.au/sbio
School of Medical Sciences
The University of NSW
Phone: +61-2-9385 2564
Mobile: +61-419-294 698
Fax: +61-2-9385 1059
Email: p.crawford at unsw.edu.au
__________________________________________________
 

  _____  

From: dock-fans-bounces at docking.org [mailto:dock-fans-bounces at docking.org]
On Behalf Of Le Tien Dung
Sent: Wednesday, 5 October 2005 4:22 PM
To: Dock-fans at docking.org
Subject: [Dock-fans] Demo failed on WIN xp



Dear Dock-fans

 

I installed and run Dock5 on WIN XP, I tried the demo as follow:

 

On Cygwin: "bin/dock5 -i demo/dock.in -o abc.out"

 

I got the result file which contained this line "Could not open
../../parameters/vdw_AMBER_parm96.defn for reading.  Program will terminate"

 

The PARAMETERS folder is sub inside the DOCK folder, and there is a file
"vdw_AMBER_parm96.defn" inside that folder.

 

Thank you for any suggestions

 

Regards

 

Le


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