Open rousselene opened 2 years ago
The 30x30x30 boundry is due to some memory limitations. Typically, 30x30x30 is enough if a docking pocket is determined. In your case, you could split the 126x126x126 box into some small 30x30x30 boxes, each of which has different docking center (center_x/y/z).
IS there a reason you choose 30x30x30 for the limitation of the grid box? I have some protein that require 126x126x126. What happen to the docking results if I change the xyz for these proteins to 30 to be able to use Vina_GPU?