[gmx-users] Re: simulation at particular pH

[Vojtěch Spiwok]

Dear Luisa
The web tool propKa http://propka.chem.uiowa.edu/
might be useful in prediction of protonation states
of your protein at givven pH. Simulation with a
constant pH (with dynamic protonation state
assignment) was reported and might be an idea
for further gromacs development.

Vojtech

> 
> Hello to everybody,
>    I am new to this mailing list and I am writing because I wonder if anybody knows how can I set up the pH of the system in gramacs.
> Thank you to everybody
> Luisa