Dear Amber users,
I am working with a metalloprotein where the metals ion is coordinated with
oxygen (gamma oxygen) atom of threonine residue. In order to preserve this
interaction during simulation, I would like to keep the threonine in its
deprotonated stage. So, I just wonder whether Amber forcefield have
parameters are available for deprotonated threonine?. If not, how can one
derive the Amber compatible parameters for a deprotonated threonine?
Many thanks in advance
Anu
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Received on Thu Mar 24 2016 - 09:30:04 PDT
