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MolarVerse / PQ

https://molarverse.github.io/PQ/
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Bug: feature/noe_constraints - J-Couplings topology throws Segmentation fault #92

Open stkroe opened 2 months ago

stkroe commented 2 months ago

Describe the bug If J-Couplings topology is included, a segmentation fault is triggered, immediately after the simulation is started after this position is reached:

bug_jcouplings_code

bug_jcouplings_segmentation_fault

The topology file should be read correctly. To Reproduce Include a J-Couplings topology. Without, it will run without segmentation fault.