AMBER Archive (2009)

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

From: Yikan Chen (yc2r_at_virginia.edu)
Date: Fri Sep 11 2009 - 15:19:04 CDT

Hey amberusers,
  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?
  Thank you!

  Best,
  Yikan


  • application/octet-stream attachment: TMS.mol2

  • application/octet-stream attachment: TMS.in

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