ADL: autodock Digest, Vol 122, Issue 8

Javeed ahmad javeedahmadwar at
Wed Oct 29 17:23:14 PDT 2014

Clean the macromolecule by deleting the water molecules and ligands. I hope it will work then.  Thanks and Regards
Javeed Ahmad War 
Department of Chemistry, 
Dr. H.S.Gour Central University, 
Sagar, M.P., India-470003 

     On Thursday, October 30, 2014 12:30 AM, "autodock-request at" <autodock-request at> wrote:

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Today's Topics:

  1. Re:  help (Keti Bardhi)


Message: 1
Date: Tue, 28 Oct 2014 23:45:37 +0100
From: Keti Bardhi <keti.bardhi at>
Subject: Re: ADL: help
To: "autodock at" <autodock at>
Message-ID: <DUB119-W12D1F4424F0343AD2CEC7CE69F0 at phx.gbl>
Content-Type: text/plain; charset="iso-8859-2"

Hi , I am having an issue when I am trying to create my protein.pdbqt file. When I open my protein on Autodock tools  after I do the grid box I get an error. It says that the non -integral charge on 3mvh ( protein that I am working) : -8.4924 and that the charges should be corrected in written output file.Also, it gives a set of correct residues . Can you please help me to fix this issue.Thank you.


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End of autodock Digest, Vol 122, Issue 8


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