ADL: How to consider Heme iron as Fe3+

Hamid Irannejad irannejadhamid at gmail.com
Mon Jun 17 03:38:46 PDT 2013


Dear Colleages
As you know, iron atom in Heme has 3+ charge but in preparing pdbqt file of
protein with AutoDockTools, the iron atom becomes zero charge !!!
How can I modify or change the charge of iron atom???

Regards,

Hamid


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