Hello,
I am currently learning Amber12 and constant pH simulations. I need to
titrate a couple ARG residues; however, when I try to setup the .cpin file,
I get an error stating that ARG is not in the list of titratable residues.
I looked in the cpin_data.py and did not see ARG as an option. Is it
possible to titrate ARG in constant pH simulations?
Thank you for your help,
Nicole
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Received on Thu Aug 29 2013 - 08:00:02 PDT
