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 Post subject: autodock4
PostPosted: Tue Jun 23, 2009 9:30 am 
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Hi,
I am trying to use autodock4, but the message I always receive during the autodock runningis that "insufficient grid points", could you please help me, what have I done wrong.

Thanks
JKF


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 Post subject: Re: autodock4
PostPosted: Tue Jun 23, 2009 9:53 pm 
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kfadebambo wrote:
I am trying to use autodock4, but the message I always receive during the autodock runningis that "insufficient grid points", could you please help me, what have I done wrong.

Have a look at your gpf file; is num.grid points in xyz bigger thant 1. If you used ADT, make sure that you click on File -> "Close saving current" in ADT -> Grid -> "Grid Box ...". Also, you can upload gpf files as an attachment in this forum.

Please let me know if you have questions or need more information.

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 Post subject: Re: autodock4
PostPosted: Tue Jun 23, 2009 11:11 pm 
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Dear Sargis,

Thanks for the e-mail, I still don't know what I ma not doing right because the error message keeps coming. Check the attachment, if my programme is faulty.

Thanks

Kassim


Attachments:
File comment: gpf file
P.gpf [1 KiB]
Downloaded 330 times
File comment: dpf file
L.dpf [3.18 KiB]
Downloaded 350 times
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 Post subject: Re: autodock4
PostPosted: Tue Jun 23, 2009 11:49 pm 
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Hi Kassim,

the most probable cause of this error is the use of maps calculated with different GPF files.

To be sure you're using the right map files, I suggest you to look at the first 6 lines of any of your .map files. and check if they match with the GPF you used.
They should have all the same values, in particular the NELEMENTS must match the number of points in your GPF.

The dlg file reports you also in which map it was found the problem.

Hope this helps

Stefano


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