hotafin at gmail.com
Wed Dec 21 16:26:12 CET 2005
I have a protein in water system. The protein has some charge, which I want
to neutralise, introducing stochastic ammount of K+ or Cl-. As far as I
figured out, the best way to do it is to use genion. Only I don't know
beforehand what the protein's charge would be, so I'm wondering if it's
possible to tell genion to neutralise the system?
2nd.: If genion puts some ions in the system, are the ions considered as a
On 12/21/05, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
> Hi Tamas,
> You have to specify it yourself.
> On 12/20/05, Tamas Horvath <hotafin at gmail.com> wrote:
> > I want to neutralise my system (chargewise), so I use genion for that.
> > Do I always have to specify the number of ions to use, or is there a way
> > to automatically neutralise the system?
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> Tsjerk A. Wassenaar, M.Sc.
> Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
> Dept. of Biophysical Chemistry
> University of Groningen
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