Dear all,
While I am reading the source code reaction_ensemble.cpp for constant pH ensemble, there is a function double ConstantpHEnsemble::calculate_acceptance_probability. In this function there is a line:
pKa = -current_reaction.nu_bar * log10(current_reaction.gamma);
I am confused why there is a factor current_reaction.nu_bar before (nu_bar is the change of the particle). It seems to me pKa is simply defined as pKa=-log10(current_reaction.gamma)
Best,
Jiaxing