Dear Amber users!
My question is related to force-field-based optimization of the
protein which has several 2+ metal ions (CU CA FE) and MG ions
embedded within it as cofactors.
The question is what amber params which will be provided by tleap
should I use for proper parametrization of the ions embedded within
the protein fold and how the ions should be named properly within each
of the models?
Thanks for help!
James
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Received on Wed Jun 29 2016 - 08:00:03 PDT
