Re: CCL:Electrostatic solvation model



Hi Andrew,
 I want to give you a simple illustration to your equation:
 a) For a point charge, you have E = Q / (r * r)  (in non SI-units).
 b) Integrate that with respect to r, and you have U(r)= Q / r.
 c) You have interactions each particle with each other particle. So
 you have to sum up with respect to i and j.
 d) But - now you counted each interaction twice! Divide by 2, and you have
 the equation you mentioned.
 I hope that was your point,
 Good luck,
 Andreas
 On Wed, 13 Mar 2002, Andrew Horsfield wrote:
 > Can anyone point me to a proof of the following equation for the
 > electrostatic contribution to the solvation energy:
 >
 >   U = 1/2 \sum_{ij} Q_i q_j / r_{ij}
 Mit freundlichen Grüssen,
 Andreas Bender
 Andreas Kieron Patrick Bender
 http://www.andreasbender.de