Dear all,
I have amber7 and often used antechamber to create
..prep files from gaussian98 outputs using the flag
-c resp for charges.
Now i tried the same thing with a guassian03
output, and after the running antechamber I got a
..prep file as usual, but the charges on some atoms
were abnormally high (up to -5 a.u) , with no
apparent reason, and even five times higher than
the corresponding Mulliken charges. Could it be a
problem in the format of the output of gaussian03?
Thank you in advance
Stefano Pieraccini
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Received on Tue May 11 2004 - 10:53:00 PDT
