Protein Charge

From: Ashkan Shekaari (
Date: Mon Jan 07 2019 - 02:24:15 CST

Dear Users,

When I simulate my protein in the NVT ensemble and apply an electric field,
the protein begins to move along the direction of the field. Which means that
the protein is not charge-neutral.
Is my simulation accordingly wrong?
Is it necessary for a protein to be charge-neutral in MD simulations?

Ashkan Shekaari, 
Ph.D Candidate in Solid State Physics, 
K. N. Toosi University of Technology, 
Tehran, Iran 
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