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- ./pdbSimNoeFrontEnd.py triPep4H.pdb. (or cat pdbSimNoeFrontEnd.out)
- follow the three tasks (printed by the script) to compare. Answer namely,
- how, in the (simulated) NOESY spectrum, is the crosspeak between the first and last atom affected by merging the middle ones?
- how is the extracted cross-relaxation rate (again between the first and last atom) affected by this merging?
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