AMBER Archive (2009)

Subject: Re: [AMBER] "nan" in gaussian input files generated by antechamber

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On Sat, Sep 12, 2009, Yikan Chen wrote:

> I am using antechamber to generate input files for Gaussian. Input file is
> TMS.mol2 and output file is TMS.in. However, there are several "nan"
> parameter in Gaussian input files. I think all of these parameters can be
> calculated by Cartesian coordinates in mol2 files. Would you please tell me
> why is that happen?

This problem will be fixed in the next release. A simple workaround would
be to use gcrt as the output format, unless there is some reason why this
doesn't work for you.

...dac

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