problems in the reproduction of results

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problems in the reproduction of results

Postby gr_eco » Thu May 24, 2012 1:46 pm

I am not able to reproduce the results obtained in Pyrx. Each time you make a docking using the same protein, the same ligand, and the same parameters, the results are not the same!
The energies are different and the structures obtained as well.

What could be going wrong?


thanks in advance.
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Re: problems in the reproduction of results

Postby sargis » Thu May 24, 2012 10:00 pm

gr_eco wrote:I am not able to reproduce the results obtained in Pyrx. Each time you make a docking using the same protein, the same ligand, and the same parameters, the results are not the same!
The energies are different and the structures obtained as well.

What could be going wrong?
.

This is fine. Please read the following to find out why the results differ between dockings when using the same input - http://autodock.scripps.edu/faqs-help/f ... same-input
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