ADL: PDBQT problems?

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ADL: PDBQT problems?

wu shaun
wu shaun 与你共享了 OneDrive 文件。若要查看文件,请单击下面的链接。


<https://1drv.ms/u/s!AgMGJqP3NKxHhWimk84hd9N9f6ZL>
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autodock fail.PNG<https://1drv.ms/u/s!AgMGJqP3NKxHhWimk84hd9N9f6ZL>

<https://1drv.ms/u/s!AgMGJqP3NKxHhWnjkslxu1cTqf0p>
[https://r1.res.office365.com/owa/prem/images/dc-generic_20.png]<https://1drv.ms/u/s!AgMGJqP3NKxHhWnjkslxu1cTqf0p>

analog 1 pdb.pdbqt<https://1drv.ms/u/s!AgMGJqP3NKxHhWnjkslxu1cTqf0p>

<https://1drv.ms/t/s!AgMGJqP3NKxHhWrlUOmdbf01Ihk_>
[https://r1.res.office365.com/owa/prem/images/dc-txt_20.png]<https://1drv.ms/t/s!AgMGJqP3NKxHhWrlUOmdbf01Ihk_>

conf.txt<https://1drv.ms/t/s!AgMGJqP3NKxHhWrlUOmdbf01Ihk_>

<https://1drv.ms/u/s!AgMGJqP3NKxHhWvehR4cl7sbQl4e>
[https://r1.res.office365.com/owa/prem/images/dc-generic_20.png]<https://1drv.ms/u/s!AgMGJqP3NKxHhWvehR4cl7sbQl4e>

human serum albumin.pdbqt<https://1drv.ms/u/s!AgMGJqP3NKxHhWvehR4cl7sbQl4e>




Hi,

      This is my first time using Autodock. I have to dock and score the analog of a drug, but it takes forever on the command prompt. I have 4 CPUS and it has been running for 30 minutes. I suspect there are errors in my PDBQT files because I changed a few lines to make the command prompt run. Here are my PDBQT files for Autodock.


Thank you very much!


-Shaun Wu
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