Since I am trying to dock a larger ligand in Autodock whenever I am running the autodock, in the log file there is a an error saying that number of atoms in my ligand exeed the default maximum value 2048. So I am planning to change the default value in the constants.h. As i have read so far, i need to configure and complile it again after changing the values.
since i am not from a computer science background, can anyone please guide me through this , how to do these changes ?
How many atoms does the ligand have? Is it necessary to dock the entire molecule? Wouldn't a part of it suffice?
I am going to do a protein protein docking in autodock. Also it is not a whole protein, it is the binding domain to the receptor protein. And has 3540 atoms @ Martin Klvana
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