ADL: Problem about autodock

Van Dam, Hubertus hvandam at
Wed Apr 22 07:58:06 PDT 2020

Hi Apisara,

If autogrid4 does not produce a glg file at all then it is possible that the code does not run at all. If you simply run 


the program should print the usage information (see: for more details). I.e. you should get something like

$ autogrid4
usage: AutoGrid         -p parameter_filename
                        -l log_filename
                        -d (increment debug level)
                        -h (display this message)
                        --version (print version information, copyright, and license) 

If you don't get that then the executable is not working at all and you would have to try and figure out what is wrong with your installation. Maybe you'll get an error message. If you do, please provide that information. That will help pinpointing what the problem is.

Best wishes,


Hubertus van Dam, 631-344-6020, hvandam at
Brookhaven National Laboratory

On 4/22/20, 02:58, "autodock-bounces at on behalf of อภิสราภรณ์ ใบเจริญ" <autodock-bounces at on behalf of anan.unun26 at> wrote:

    > Begin forwarded message:
    > From: อภิสราภรณ์ ใบเจริญ <anan.unun26 at>
    > Subject: Fwd: Problem about autodock
    > Date: 21 April BE 2563 13:29:27 GMT+7
    > To: autodock at, autodock-owner at
    > ---------- Forwarded message ---------
    > จาก: อภิสราภรณ์ ใบเจริญ <anan.unun26 at <mailto:anan.unun26 at>>
    > Date: จ. 20 เม.ย. 2020 เวลา 20:11
    > Subject: Problem about autodock
    > To: <autodock at <mailto:autodock at>>
    > Dear sir
    >      My name is Apisara Baicharoen. I am a student. I have problem with autodock for docking. 
    > First, my molecule is deformed. This molecule is trimethoprim. That is shown below.  
    > Last, I followed;!!P4SdNyxKAPE!QUFBbHhlxdvj2Oe7GuUDjmBZN1MsxP0nQavKLCeGRs-Dw2kXvnI0AhmHRuZR6F4$  <;!!P4SdNyxKAPE!QUFBbHhlxdvj2Oe7GuUDjmBZN1MsxP0nQavKLCeGRs-Dw2kXvnI0AhmHRuZR6F4$ > for docking . However, i could not save file.glg and file.dlg in order to continue next step for docking. In addition, I tried to use command in pc with code autogrid4.exe -p file.gpf -l file.glg but it is not successful. 
    >       Please help me. This is my project for master degree.
    > Your sincerely 
    > Sent from my iPhone
    --- ADL: AutoDock List  ---;!!P4SdNyxKAPE!QUFBbHhlxdvj2Oe7GuUDjmBZN1MsxP0nQavKLCeGRs-Dw2kXvnI0AhmHboT1FYk$  ---

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