TinkerTools / tinker9

Tinker9: Next Generation of Tinker with GPU Support
Other
48 stars 26 forks source link

Restraining Bond Orientation #242

Open cdpoon opened 9 months ago

cdpoon commented 9 months ago

I am interested in running Tinker9 with a bond in the molecule oriented along the Z axis of the box. Is it possible to do that?

I have read the description of a bunch of keyword RESTRAIN-** in Tinker User's Guide. However, none of them seems to be able to do that. There must be something I have overlooked.