[AMBER] His getting protonated to HIP

From: Thakur, Abhishek <axt651.miami.edu>
Date: Thu, 20 Jul 2017 22:26:50 +0000

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 20 2017 - 15:30:02 PDT
Custom Search