AMBER Archive (2008)

Subject: AMBER: antechamber generated input for gaussian error

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Sat Jul 19 2008 - 19:53:49 CDT

Hi all,

antechamber -fi mol2 -fo gzmat -i chu.mol2 -o chu.gau

in either antechamber-1.27 or AmberTools1.1 when gaussian invoked on
chu.gau:

g03 chu.gau
gives an error:

Error on Z-matrix card number 4
reference made to an undefined center.
Z-matrix conversion failed in ZToCFu.
Error termination via Lnk1e in /opt/shared/gaussian/G03/g03/g03/l101.exe at
Sun Jul 20 09:44:45 2008.

All files including full output are in the attached gaussian.tar.gz

What is going wrong here and how to fix it?

Cheers,
    John.


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