[gmx-users] how we can add these ions depends on precise physiological concentration?

milad bagheri milad9bagheri at gmail.com
Sat Jan 5 14:17:29 CET 2019


Dear researcher
As we know, we add only specific ions including Na and Cl to simulation box
for conducting molecular dynamics simulation. The question is raised is why
we don't add other ions to simulation box that are existed in the cell
environment, for example, phosphate or potassium?
It is reasonable if we add all the ions to MD box? If your answer is yes,
how we can add these ions depends on precise physiological concentration?
best Regards


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