Dear amber users
I used gasteiger charge method for antechamber running that have many approximation.
Since AM1-BCC method was used, I get an error and properly exit. I don't know why?
please guide me.
thanks.
.<TRIPOS>MOLECULE
CNT
80 104 1 0 0
SMALL
gas
.<TRIPOS>ATOM
1 C 3.0710 0.6110 2.0040 ca 1 CNT -0.015872
2 C1 3.0710 0.6110 3.4240 ca 1 CNT -0.001253
3 C2 2.6040 1.7400 4.1340 ca 1 CNT -0.000091
4 C3 2.6040 1.7400 1.2940 ca 1 CNT -0.046367
....
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
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Received on Fri Jan 03 2014 - 23:00:02 PST
