How does the AMOEBA polarizable force field for nucleic acids impact protein MD?

09 September 2018 1 9K Report

Has anyone tried the new AMOEBA force field for nucleic acids (Zhang et al, 2018) on protein-DNA or protein-RNA simulations? I'm curious to see how the torsion parameters manifest in simulating protein.

Xiaohui Wang

I think AMOEBA only alters the charge-charge interaction via multiple expansion and does not touch the torsion.

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