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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Received on Mon Sep 14 2009 - 13:44:02 PDT
