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?
Though I’m not a user of orca, mattermodelling.se so far has 55 questions tagged with orca including this one. So I speculate this venue could help you, too (perhaps including .xyz of [a sample] diene and dienophile for illustration).
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