hi all, i am trying to find the coordination number using the rdf between two chains in the system .my box contains two polymer chains with water molecules.i know integrating 4*pi*r*r*g(r)*rho between 0 to first minima of rdf will give coordination number .the first minima value i took from the rdf between two chains. but for value of rho what shall i use .is that total number of atoms/volume of box or number of atoms in the two chains/volume of box. i have a doubt whether to include number of solvent atoms to calculate the number density or not .kindly clarify this doubt -- Open WebMail Project (http://openwebmail.org)
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