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by KJohnson@PacificU
Wed Sep 08, 2021 7:33 pm
Forum: WebMO 21
Topic: MOPAC Dihedral Search
Replies: 1
Views: 11324

MOPAC Dihedral Search

It appears that when I set up a dihedral angle search MOPAC interprets a '0.00' in the list of search angles to be a bond distance. Is the job input correctly formatted for a dihedral search? Appending the Job Output for HOOH dihedral search: POINTS ON REACTION COORDINATE -1.00 0.00 5.00 10.00 15.00...