[AMBER] Mutation of R to Histidine

From: mohamed marzouk <mohamedmarzoukphysics.gmail.com>
Date: Sat, 27 Nov 2021 01:13:07 +0900

I am trying to study the effect of mutation on my system.
I mutate the Arginine to Histidine
One time, Histidine in form δ-histidine (with residue name in pdb; HID) , so expected the +ve charge decrease by 1 (of Arg)
 The other possibility, Histidine in form protonated form (HIP) , so expected the charge not affected ( change positive by positive)
But I found that, both cases give the same total charge before adding the ions. As in attached screenshots
How can I let tleap now the charge of Histidine ?

Best regards,
Mohamed Marzouk Sobeh
Ph.D student at Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan.
T.A Physics department,Ain Shams University, Cairo, Egypt.

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Received on Fri Nov 26 2021 - 08:30:02 PST
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