Tsjerk Wassenaar wrote:
Hi David,
Yes, there has been a paper reporting on this point. No I haven't
analysed this with statistical rigour as you might have expected from
me. If you want the paper, I can dig it up for you.
Please post it here as well. It shall be of "public" interest. Thanks.
Tsjerk
On 3/24/07, David van der Spoel <[EMAIL PROTECTED]> wrote:
Tsjerk Wassenaar wrote:
> Hi,
>
> Personally, I rather add ions up to physiological salt concentration,
> in addition to counterions, which makes the equilibration quicker,
> also accounts for the presence of both positive and negative charges
> on the protein surface and, probably mainly due to the latter, has a
> stabilizing effect on the proteins in simulation.
>
Not meaning to be cynical but where does this wisdom come from? It makes
sense and most people will agree, but are you aware of any systematic
tests?
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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