3 posts • Page 1 of 1
- Posts: 67
- Joined: Sat Jun 20, 2020 3:37 am
- Full Name: John Keller
- Organization: University of Alaska Fairbanks
- Subdiscipline: Chemistry
Attempts to animate a scan of butane CCCC dihedral angle in MOPAC (PM6 method) or select one conformation on the energy vs angle plot give a "No geometry data to animate!" message.
Try MOPAC 22.0.06! Jimmy Stewart made some changes (requested by us) to simplify and improve coordinate scanning in MOPAC. Those changes are up and running on the demo server (MOAPC 22.0.5), so I believe they should also be in the 22.0.6 release as well.