RMG-Java
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Various RMG output files have a discrepancy in the number of reactions
I'm looking at 3 major outputs from an RMG run:
Final_Model.txt
outANDerror.txt
chem.inp
In my situation, Final_Model.txt reports 4201 reactions; outANDerror.txt reports 4192 reactions; and chem.inp reports 4208 reactions. Is this something that we should be worried about?
I might be able to account for 4208 versus 4201 because there were 14 duplicate reactions (and by removing half of them, we go down to 4201) – but this doesn’t explain the 4192. The files are on:
http://web.mit.edu/jdmo/Public
Thanks!