Hi all Users,
I work by Amber software to do molecular dynamic.
my protein consists Heme (ligand) when I want to change ligand, for example,
adding oxygen.
I extract it from PDB and change it.so I do optimization and after save it.
when I do tleap, the complex is incorrect, I see the protein and ligand have
overlap together.
can you help me?what is the best way for doing this change?
Thanks a lot
BW
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Received on Sun Nov 08 2015 - 03:00:03 PST
