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
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