Name
GEO-OK — Override interatomic distance check.
Description
AMPAC will halt execution and generate a warning message if any two
atoms are within 0.8 Å of one another. A special exception to this rule is threshold for the
H-H distance is only 0.4 Å. (This is to prevent the geometry check from stopping in the
presence of a hydrogen molecule, which has a bond length of 0.74 Å.) GEO-OK will prevent this
test 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.
