Re: CCL:potential from part of the system

 Deyu, if your Gaussian Job included a calculation
 of point charges (esp or chelpg) then the
 electrostatic potential from a subset of atoms
 is the sum of coulombic terms over that subset.
 My suggestion is, take those point charges, take
 the coordinates of your system and make a small
 program to calculate the electrostatic potential
 wherever you want.
                      Jose
 On Mon, 30 May 2005, deyulu wrote:
 > Dear CCL:
 >  	I want to obtain the potential field from only part of
 > my system, eg., the electrostatic potentail that a real ion
 > feels from the rest of the system. Does anyone know if there
 > is a quick way to do this from a Gaussian checkpoint file?
 >
 >  	Thanks
 >  	Deyu
 >
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 > Deyu Lu
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