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This is a known issue when HMM is enabled. Results are reliable when HMM is disabled. |
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Hello, I use the command line reacnetgenerator --type dump -i 3000k-1ps-pvdf.dump -a C H F --matrixa 0.91 0.09 0.09 0.91. The xx.species file can identify [H]F 1 and [H]C([H])C(F)C(F)(F)C([H])([H])C(F)(F)C([H])([H])[H] 1, but the xx.abcd file does not output the reaction of the reactant to form HF.
dump5.zip
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All reactions