On Wed, Jan 25, 2012 at 2:31 AM, Christian Roth
I added the modified file as additional parameter file in the gui. However in the final .eff file I found just the old restraints from the previous run. In the final .eff file it is stated that the file with my updated links is loaded ... Somehow the old restraits are already in the .eff file and the new ones are ignored how I could I avoid this. Simply closing the GUI an reopening?
Okay, I misunderstood this. In 1.7.3 you should be able to remove the old restraints by selecting "Clear custom restraints" from the Utilities menu. In the nightly builds, there is now a more intuitive editor for the custom restraints, which should (I hope) make it much less confusing, and much easier to create your own restraints in addition to what ready_set provides. -Nat