Re: CCL:helix dipole

From: "G. Ravishanker" <ravishan()at()swan.wcc.wesleyan.edu>
Subject: Re: CCL:helix dipole
Date: Mon, 25 Apr 1994 08:48:52 -0400

 Hi
 If you have a set of charges qi, on atomic centers (xi,yi,zi), for
 i=1,natom, isn't it simpler to transform the coordinates to the principal
 axis system and do:
    	dx = sum over all atoms qi*xi
    	dy = sum over all atoms qi*yi
    	dz = sum over all atoms qi*zi
    	D = sqrt(dx**2 + dy**2 + dz**2)
 Ravi
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 * Ganesan Ravishanker			Ph: (203) 344-8544 Ext. 3110       *
 * Coordinator of Scientific Computing,  Fax:(203) 344-7960                 *
 * Adjunct Associate Professor(Dept. of Chem.)                              *
 * Wesleyan University               e-mail:ravishan()at()swan.wcc.wesleyan.edu
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 * Middletown, CT 06459.                                                    *
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