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Post by susanarg on Apr 6, 2022 10:59:39 GMT
Hello,
I am running a bngl model with mcell and I get the following warnings when I run it through VSCode:
Warning: total probability of reaction is > 1 (2215.57)
rxn class for reactants:
CaM(ca~0,camkii)@cp (4) + Ca@CP (3)
pathways were not initialized
0: products based on rule CaM(ca~0,camkii) + Ca -> CaM(ca~1,camkii) 1e+06 (id: 0)
CaM(ca~1,camkii)@cp (8)
cum_probs: 2215.57, max_fixed_p: 2215.57
Warning: total probability of reaction is > 1 (2215.57)
rxn class for reactants:
CaM(ca~1,camkii)@cp (8) + Ca@CP (3)
pathways were not initialized
0: products based on rule CaM(ca~1,camkii) + Ca -> CaM(ca~2,camkii) 1e+06 (id: 2)
CaM(ca~2,camkii)@cp (10)
cum_probs: 2215.57, max_fixed_p: 2215.57
Warning: total probability of reaction is > 1 (2215.57)
rxn class for reactants:
CaM(ca~2,camkii)@cp (10) + Ca@CP (3)
pathways were not initialized
0: products based on rule CaM(ca~2,camkii) + Ca -> CaM(ca~3,camkii) 1e+06 (id: 4)
CaM(ca~3,camkii)@cp (11)
cum_probs: 2215.57, max_fixed_p: 2215.57
- I have tried reducing number of molecule counts released into the model, as well as reducing the reaction constants in the bngl file but that did not work. The only thing that worked was to reduce my model.config.time_step = 1e-20 but it's not ideal as I don'tget the warning but it increases simulation time by a fair amount (and will only get worse as I add more molecules). Does anyone have any insights as to how to resolve these warnings?
- It would be really helpful if I could get clarification on what the numbers in parenthesis mean, for example CaM(ca~0,camkii)@cp (4) + Ca@CP (3) - what do (4) and (3) represent?
Thank you in advance, Susana.
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Post by tmbartol on Apr 6, 2022 15:45:35 GMT
Hi Susana,
I think for me to help I'd need to see the MCell Python code for you model and the BNGL file being loaded by your python file. If I'm not mistaken the the numbers (4) and (3) etc... that you see in the log messages refer to the unique ID numbers of the species which are assigned automatically by the simulation engine at runtime. Perhaps we could setup a Zoom to look at this together? e-mail me: bartol@salk.edu
Tom
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