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GEO-OK

Description

AMPAC will halt execution and generate a warning message if any two atoms are within 0.8 Å of one another. GEO-OK will override the termination sequence and allow the calculation to proceed. In most cases, this warning message indicates a serious error condition and is the result of a flaw in the geometry specification. A common exception to this warning is the hydrogen molecule, which has an H-H bond at 0.74 Å.