Entering edit mode
2.9 years ago
doubtbio
•
0
Hello,
I am trying to perform re-docking in Autodock4.2.6 with the co-crystallized ligand. I added hydrogens and Kollman charges to the protein. co-crystallized ligand downloaded from PDB and it is optimized by Gaussian9 using 6-31G. RESP charges were also added to the ligand. The docking results showed positive BE. I couldn't figure out the mistake, unfortunately. What are the reasons for showing +ve BE?
