ADL: vina"Configuration file parse error: multiple_occurrences"

alicew6 alicew6 at 163.com
Tue Oct 14 19:52:35 PDT 2014


Yeah, Many thanks!!!
At 2014-10-14 23:07:00, "Ruth Huey" <rhuey at scripps.edu> wrote:
>Your config file has multiple occurrences of the center_x keyword.
>(see below)
>________________________________________
>From: autodock-bounces at scripps.edu [autodock-bounces at scripps.edu] On Behalf Of alicew6 [alicew6 at 163.com]
>Sent: Monday, October 13, 2014 5:41 PM
>To: autodock at scripps.edu
>Subject: ADL: vina"Configuration file parse error: multiple_occurrences"
>
>Dear vina users,
>
>I got "Configuration file parse error: multiple_occurrences" error when run vina using vina_tutorial file:
>
>
>E:\Wang\Dock\vina\vina_tutorial>"d:\Program Files (x86)\The Scripps Research Institute\Vina\vina.exe" --config conf.txt --log log.txt
>
>
>Configuration file parse error: multiple_occurrences
>
>
>my config file is:
>receptor = protein.pdbqt
>ligand = ligand.pdbqt
>
>
>out = out.pdbqt
>
>
>center_x = 11
>center_x = 90.5  << change this line to center_y = 90.5
>center_x = 57.5  << change this line to center_z = 57.5
>
>
>size_x = 22
>size_y = 23
>size_z = 28
>
>
>exhaustiveness = 8
>
>
>Thank you for help!
>
>
>Yours
>Alice
>________________________________________________
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>
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