From: Rajiv Abhyankar (rajiv.abhyankar_at_gmail.com)
Date: Mon Nov 09 2009 - 06:22:04 CST
Dear All,
I am doing an SMD calculation on a protein solvated in water box. I want to
know what dielectric constant I should assign to my system-1 as for vacuum
or 80 as for water.The reason for my confusion is that I feel that if I
assign a value of 80, the even those charges that are not in the water
environment but are in the protein environment will be affected and will
give a wrong value of the electrostatic energy.
Rajiv
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