[AMBER] how to keep Cl/Br/I ion in particular place

From: Nisha Amarnath Jonniya <phd1601271002.iiti.ac.in>
Date: Wed, 23 Sep 2020 10:36:40 +0530

Dear Amber Users,

I am doing a cmd simulation of protein with chloride ion at the chloride
binding site and would like to see its impact on the structure of protein.
but while doing the simulations it moved out from the pocket.
So, how to study such systems? Is there any way to keep it?
which forcefield to use for Cl-/Br-/I- ?

Really would be thankful for any help.
Thanks and regards
Nisha Amarnath Jonniya
PhD Research Scholar
Biosciences and Biomedical Engineering
Indian Institute of Technology, Indore
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Received on Tue Sep 22 2020 - 22:30:02 PDT
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