Page 1 of 1
MOPAC v 22.0.4 coordinate scan animation
Posted: Thu Jun 01, 2023 6:10 pm
by jwk
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.
Re: MOPAC v 22.0.4 coordinate scan animation
Posted: Thu Jun 01, 2023 6:57 pm
by schmidt
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.
Re: MOPAC v 22.0.4 coordinate scan animation
Posted: Sat Jun 03, 2023 6:05 pm
by jwk
OK, that works! Thank you Drs Schmidt and Stewart.