[gmx-users] dipole-dipole interaction energy

Sanku M msanku65 at yahoo.com
Fri Jun 24 04:45:20 CEST 2011


Hi,
  I am trying to calculate the dipole-dipole interaction energy of two charged 
molecules. But, I was looking for a method/formula to do that. I have the .xtc 
file from which I can calculate the dipole moment of each of the molecule using 
g_dipole . But, then how will I calculate the dipole-dipole interaction energy 
among them ?
Sanku
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