>
> >I would possibly try to reduce the charges below 1 in
> >absolute value to see if any change due to a shift in compensation
> >of errors.
>
> Very interesting idea; I'll have to play around with the charges a
> bit.
Please do not expect too much, since this will worsen
for example the water - ion and solute - ion
direct interactions (these are already underestimated).
Nevertheless, in your case you need to get rid of the
pairs by any available mean.
I would be very interested to see the outcome.
Interestingly, we did some NaCl simulations before for
G-DNA with no visible problem. KCl was not successfull.
Best wishes, Jiri
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Received on Thu Sep 25 2003 - 13:53:01 PDT
