Dear colleages,
I am sorry, I forget to say that the TR1.mol2 file, which was generated in the step of MCPB.py -i 1OKL.in -s 3b, did not contain the metal atom B, but the B is contained in the pdb file of the complex.
How this happened?
Is this the researson for the error of "atom does not have a type"?
how to fix it ?
Thanks ~~
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Received on Thu Apr 21 2016 - 20:00:02 PDT
