Could somebody emplain me why this message occur and what to do to solve it?
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Tors failed for dihedral 24 - 22 - 25 - 26
Tors failed for dihedral 24 - 22 - 25 - 27
Tors failed for dihedral 24 - 22 - 25 - 28
FormBX had a problem.
Error termination via Lnk1e in /opt/software/gaussian/g16.b01/l103.exe at Sat Jul 7 15:41:25 2018.
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I joined my input in a notepad file.
Thank you.
Mathieu
This is because there are three atoms in a straight line in the current step of geometry during opimization, and therefore related dihedrals cannot be defined. A solution that can 100% solve this problem is adding "cartesian" option in "opt" keyword, so that the optimization will be carried out in Cartesian coordinate, and thus this problem will be naturally avoided.
Rewrite input file of the optimization task based on the last geometry of the failed task may also solve this problem, because Gaussian will automatically construct proper redundant internal coordinate for present geometry.
This is because there are three atoms in a straight line in the current step of geometry during opimization, and therefore related dihedrals cannot be defined. A solution that can 100% solve this problem is adding "cartesian" option in "opt" keyword, so that the optimization will be carried out in Cartesian coordinate, and thus this problem will be naturally avoided.
Rewrite input file of the optimization task based on the last geometry of the failed task may also solve this problem, because Gaussian will automatically construct proper redundant internal coordinate for present geometry.
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