Charge input format of G94
Dear Netters,
As a novice user of G94, could anyone please tell me how to
include point charges in a calculation. I have got the orthogonal
coordinates of a complex and the corresponding point charges but I
don't understand the instructions of the Gaussian manual:
x y z charge point charge format
Coordinates are in Bohr and in the standard orientation
How should I change the coordinates of the point charges into standard
orientation. I will be grateful if anyone could give me a sample input.
Many thanks,
Zhou Ping
The Chinese University of Hong Kong