I want to make TS input file for orca.
The reaction I concern is diels-alder reaction and I want TS input file about TS that EDG is on.
How can I make TS file? Is there any option or force filed for it?
Orca has a very thorough documentation on their site as well as an active forum.
There’s also the ORCA Input Library - Tutorial: Saddlepoint ("TS") optimization via relaxed scan
One can also use the NEB (nudged elastic band) transition state search: ORCA Input Library - Tutorial: NEB calculations