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Partial Charge Assignment

Paul Hubbard phubbard at POST.ITS.MCW.EDU
Mon Jan 18 11:12:42 EST 1999

Hi there,

Apologies for placing a question on the X-PLOR news group unrelated to
X-PLOR, but I don't know of a more appropriate place to ask (please tell
me if there is one).

I'm using DELPHI, and decided to create my own charge set as I can
calculate partial charges with what I believe is a more accurate method. I
have then reformatted the data so that it can be used in DELPHI. However,
as far as I am aware DELPHI uses formal charges, so does this mean that if
partial charges are initially assigned I am infact creating more of an
error than I am solving.

Many Thanks

Paul Hubbard (Graduate Student)

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