Hi,
I am trying to make a complex file of my system and ligand, unfortunately, all my HIS is getting protonated and getting converted to either HIE or HIP.
I was wondering is there any way to prevent this? or I can delete hydrogens from HIP to make it HIS in my prmtop and inpcrd file?
Thanking you,
-Abhishek
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Received on Thu Jul 20 2017 - 15:30:02 PDT
