> On Oct 12, 2013, at 10:22 AM, Kamali Sripathi <ksripath.umich.edu> wrote:
>
>
> I am using Gaussian and antechamber to parameterize an N1-unprotonated
> guanine for RNA. I initially generated a prepc file while forgetting to add
> the "-nc -1" flag. I re-ran the calculations using this flag, but the two
> resulting prepc files are the same. I have compared prepc files for other
> molecules with and without the "-nc" flag and found the same thing happen.
The -nc flag only applies to am1-bcc charge calculations. You provided the net charge to Gaussian in its inout file.
...dac
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Received on Sat Oct 12 2013 - 09:00:02 PDT
