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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Received on Sun Jul 20 2008 - 06:08:04 PDT
