ADL: Metal (Zn, Ca, and Mg ) protein docking problems.

Yu Chan Myung yuchan.m at
Fri May 30 23:44:43 PDT 2008

Hi, ..

I'm docking some metal protein, likes matrix metalloproteins which contain
Zn, Ca,...etc.

1. How can I give Kollman charge to macromolecue which contains HETAM (e.g.
Metal Ions). (during autodock3)

2. How can I give solvation parameter, charge information  to metal ion.

3. I got some errors during execution of autodock4 and stop calculating..
 ----------------- "energy is infinite,..."--------------------------

Any ideas, comments are very helpful to me.

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