It's hard to say what the effect of salt would be--probably depends on the
force field you used, as unfortunate as that sounds. Different force
fields do not interact with water the same ways, and that balance is also
reflected in the equilibrium between macromolecules and counterions.
Whatever differences you have seen, make sure they are statistically
significant--this may be harder to prove than you expect.
Dave
On Mon, Jun 24, 2019 at 2:46 PM M RCC <mkr3j2c1.gmail.com> wrote:
> Hello, Amber users,
> I simulated a protein-ligand complex with and without salt.
> Found some differences are there to notice. I would like to know what is
> the effect of salt in simulations biological systems.
> Any explanations?
> or any useful articles?
>
> Thank you in advance.
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Received on Mon Jun 24 2019 - 12:30:02 PDT
