On Fri, Aug 18, 2006, Suxin Zheng wrote:
> If we want to consider the salt concentration, what's the range of
> the salt concentration in PB and GB calculation should be reasonable
> or acceptable.
This usually depends on what experiments you are trying to interpret.
"Physiological" salt concentration is generally something like 150 mM.
>
> Can we short the "cutoff" in MM calculation and PB or GB calculation,
> such as from 999 to 25. (thus the GB or PB total may be negative)
> Dose it make sense.
This is not a good idea, in my view. Electrostatic cutoffs can introduce
large and arbitrary changes to the energetics.
..dac
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Received on Sun Aug 20 2006 - 06:07:20 PDT