Help with freeze groups in Gromacs: holding a surface fixed in space

Hi,

It’s possible that your issues are related to bugs in the freeze code that were fixed in 2018.2. In which case you will have to convince your leadership to update (which will fix more bugs, and if you’re upgrading all the way to 2022.3 get you more performance).

https://manual.gromacs.org/2018.2/release-notes/2018/2018.2.html

Do you also need permission to compile a local build to use for yourselves? That could otherwise be a solution.

Regards,
Petter