[gmx-users] pH

[Xavier Periole]

The pH involves the entities OH- and H+(H3O+). Do you have any in
your system ? Probably not !! They do not exist in any Molecular 
Dynamics force field I know. I don't know any way to do explicit 
solvent simulations with a control of pH. 
I assume that the pH can be introduce when the solvent is introduced 
explicitly. But I don't know either any explicit solvent where you can 
actually modify your pH. Does any one ??? 

XAvier