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
Received on Mon Sep 14 2009 - 13:42:46 PDT