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AMBER Archive (2004)Subject: AMBER: antechamber + mopac +scf failed
From: Carsten Detering (detering_at_u.washington.edu)
Hi all,
When I run the antechamber test, it fails with
Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
When I look at ANTECHAMBER_MUL.OUT, it says
A FAILURE HAS OCCURRED, TREAT RESULTS WITH CAUTION!!
FOR SOME REASON THE SCF CALCULATION FAILED.
Does anyone have an idea what to do with this problem?
I am using mopac5010mn, Dual Xeon, Redhat 8.0, amber7
Thanks (again) in advance,
Carsten
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