Hi,
In my system HEME Fe is forming a coordinate bond with S of CYS.
So after preparing the complex prmtop and inpcrd files I have generated pdb files and it seems now there is no coordinate bond between them and S of CYS has been SH.
Can you suggest me how to tell tleap to make it a coordinate bond. I am afraid as by giving a bond command it will form hydrogen bond with it.
With regards,
-Abhi
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Received on Fri Apr 14 2017 - 12:30:03 PDT
