I want to study effects of electromagnetic (EM) wave (UV-Vis) on the secondary and tertiary structure of a protein in silico. The protein structural changes are proved by experimental results (UV-VIs, Fluorescence and CD spectroscopy). I found some paper that simulate the effects of EM field on the structure of hen egg white lysozyme by Gromacs. However, I request your help for parameter files for molecular dynamics simulation regards the EM field.
Further in some paper the Electric field is applied for the study of the Microwaves effects on protein structure. Can I apply only the Electric field instead of EM field for my propose?
And is it possible to simulate high electric field (in the range of UV-Vis waves) by Gromacs (simple MD) or it needs QM/MM ?
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