[Dock-fans] grid error

Julio Dominguez acheron24 at hotmail.com
Wed Jun 15 07:49:54 PDT 2016


Thank you.

From: sking42 at vols.utk.edu
To: dock-fans at docking.org
Date: Wed, 15 Jun 2016 14:47:40 +0000
Subject: Re: [Dock-fans] grid error








All,







Replacing the ~ with the full path solved the issue, thanks for the assistance!





Steven






From: Julio Dominguez <acheron24 at hotmail.com>

Sent: Tuesday, June 14, 2016 5:11 PM

To: King, Steven Tyler

Subject: RE: [Dock-fans] grid error
 


Hello,



I think that within the input files for dock or grid the ~ symbol doesn't work. You need to use the full path.



Let us know if that works.






From: sking42 at vols.utk.edu

To: dock-fans at docking.org

Date: Thu, 9 Jun 2016 14:13:06 +0000

Subject: [Dock-fans] grid error




All,





While generating a grid for a calculation using a grid.in parameters file, I receive the following error:





ERROR efopen: Unable to open ~/DOCK6/dock6/parameters/vdw_AMBER_parm96.defn. Terminating execution.





Is there some reason that I should be unable to open the vdw definition file? I have tried the other two included .defn files, renaming the file, and relocating the file to a different directory, all with no positive results.





Steven King






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