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PostPosted: Thu Oct 02, 2014 9:48 pm 
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Dear all,

Do you know of any significant changes between the way AutoDock 4.2.3 and 4.2.6 calculates the binding free energy? I just did two calculations (same input files) with AutoDock 4.2.3 and 4.2.6 and got results quite different from each other. The differences are not due to the stochastic nature of the LGA, I have increased the search length, and done multiple calculations, always getting qualitatively different results. I am trying to figure out the source of the differences....

Thank you,

Christos Deligkaris
Assistant Professor of Physics
Drury University


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PostPosted: Mon Jan 19, 2015 12:02 pm 
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Never heard about this...
__________
Leah Fitness


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