[Dock-fans] missing entries after GB/SA rescoring

RyangGuk Kim RyangGuk.Kim at bioinformatics.buffalo.edu
Wed Oct 5 15:09:53 PDT 2005

hi, i'm new to DOCK and now trying GB/SA rescoring with it. i have found that sometimes several ligands are omitted after GB/SA rescoring. for example, i used an unfolded structure of a receptor, A, and ligands 1 to 7. i could dock A and 1 to 7 all successfully. then i rescored with GB/SA according to the introductory tutorial and found that ligands 3 and 4 were missing in the out file. does anyone know the reason for this? thank you very much. :)

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