Open jchodera opened 2 years ago
Maybe the idea is to apply restraints based on a collective variable? @jchodera do you have any insight on what the poster had in mind?
@peastman : That's my guess: Definition restraints on collective variables.
The Plumed package has much better documentation and sophisticated ways of doing this, though. I wonder if a more complete tutorial on using Plumed with OpenMM might be useful?
This suggestion is from twitter: