Dear Amber members,
I use MCPB to model metal ions.For the coordinated atom ,I rename it to N5,N6(just like the Tutorial done).But MMPBSA.py can't recognize the atoms.What should I do for the modification?
Look forward to your reply!
Best wishes.
wjli
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Received on Fri Apr 10 2015 - 20:00:02 PDT
