Reply To: Using Degenerate Protons in Rosetta3.x

[Anonymous]

My constraint file looks like this:

AtomPair H 6 H 105 BOUNDED 1.5 5.50 0.3
AtomPair H 6 H 26 BOUNDED 1.5 5.50 0.3
AtomPair H 8 H 101 BOUNDED 1.5 3.75 0.3
AtomPair H 8 H 7 BOUNDED 1.5 5.50 0.3
AtomPair H 8 H 9 BOUNDED 1.5 5.50 0.3
AtomPair H 9 H 10 BOUNDED 1.5 4.50 0.3
AtomPair H 9 H 23 BOUNDED 1.5 4.50 0.3
AmbiguousNMRDistance H 10 HG1 50 BOUNDED 1.5 4.50 0.3
AtomPair H 11 H 10 BOUNDED 1.5 4.50 0.3
AtomPair H 13 H 14 BOUNDED 1.5 3.25 0.3
AmbiguousNMRDistance H 14 HG1 10 BOUNDED 1.5 5.50 0.3
AtomPair H 15 H 16 BOUNDED 1.5 3.75 0.3
AmbiguousNMRDistance H 17 HE1 83 BOUNDED 1.5 5.50 0.3

No error is displayed when the AmbigNMRDist lines are commented out or changed to Atompair. What is quite strange, though, is that changing one of the other AtomPair definitions to AmbigNMRDist does not give an error. So this is somehow not entirely reproducible.

Everything else works, so I am still very thankful for your help and the main issue is definitely solved.