On Fri, Oct 16, 2015 at 12:56 AM, jagannath mondal <jm3745.columbia.edu>
wrote:
> Hi
> I wanted to know what is the maximum concentration this ion parameter are
> safe to use. I have a protein which needs to simulated at a very high salt
> concentration of 9.3 M. However, at this salt concentration, simulation
> shows that the salt self-crystallize and there is a low interaction with
> the protein. My doubt is that may be at this salt concentation the salt
> parameters does not work as they might have been parameterized at a lower
> salt concentration.
>
I suspect you are right in that the parameters were optimized at lower
salt concentrations (9.3 M is *very* salty...). Of course, the citations
for the ion parameters are the ultimate authority on the accuracy of this.
Those journal articles probably also indicate how high the concentrations
that were tested are. I'm not sure if anyone knows the direct answer to
your question, though.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 16 2015 - 05:30:05 PDT
