ADL: Problem with autodock

Sophie Balou sbalou at chem.uoa.gr
Thu Apr 16 06:04:01 PDT 2020


Hello,

I use Autodock 4.2 to perform docking with metal complex as ligand and DNA
as reseptor. My file for metal complex was modified in gaussian view to
remove the solvent molecules, and then was saved as mol2. file. I open it
with autodock without problem but when I saved the output one bond is
distinguished. I cannot find the problem. If anyone has something to
suggest ot me I woyld appreciate it.

Also I attach the photow of the problem I have.

Thank you very much
Sohia Balou.


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