[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

code for constant pH ensemble

From: Jiaxing Yuan
Subject: code for constant pH ensemble
Date: Thu, 7 Nov 2019 22:21:37 +0800

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)


reply via email to

[Prev in Thread] Current Thread [Next in Thread]