AMBER Archive (2005)

Subject: AMBER: Odd Antechamber Behavior

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Fri Apr 29 2005 - 23:48:01 CDT

I'm trying to understand why a compound will run through antechamber
with no problem and then, after I rotate two bonds, it will no longer
run through antechamber and gives me "can't assign bond types" and
"unable to find mopac charges in divcon.out" error messages. Does
anyone know why this happens? When I visualize the pdb files, they are
identical except for the rotation.

Kara Di Giorgio
University of the Pacific

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