[Simulation question]:Error of TsEmDNAChemistryExtended

[Edgarchen666]

Simulation question

Dear TOPAS-nBio Community,
I urgently need help resolving a fatal parameter error when integrating TsEmDNAChemistryExtended with IRTCummulative. The simulation terminates immediately with:
"Topas is exiting due to a serious error. Parameter name: Ch/TOPASChemistry/Reaction/Hydrogen/Hydroperoxy/ReactionType has not been defined."
Is there something missing from TsEmDNAChemistryExtended, or is there something missing from my IRTCummulative file? But it's okay to run TsEmDNAChemistryExtended with ActiveChemistryExtended. Why is that?
TOPASChemistry_Extended.txt
TsIRTCummulative_extended.txt
ActiveChemistryExtended.txt

TOPAS-nBio category

Chemistry

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[tmasilela]

Hi,

Seems like a disagreement between the TsIRTInterPulse scorer and TsEmDNAChemistryExtended where the scorer requires reaction types to be defined. The extended chemistry file you're using doesn't have reaction types defined and I guess this was fine in the example since no scorer was used.

Fastest fix would be to just add reaction types to all the reactions in your parameter file. Reaction types can be found here for example: https://doi.org/10.1016/j.radphyschem.2017.03.021

All the best,
Thongchai

[Edgarchen666]

Thank you so much for your prompt and insightful response! Your explanation clarifies the conflict between TsIRTInterPulse and TsEmDNAChemistryExtended, which I had not fully understood.