Re: [AMBER] How to set salt concentration

From: Clorice Reinhardt <clorice.reinhardt.yale.edu>
Date: Fri, 3 Jul 2020 15:10:18 -0400

Hi Nadafiva,
I think you need to remember to keep the sign in using the equations in the
forum post. If you only plugged in Q=11, instead of Q=-11, this would
explain the numbers you obtain.
All the best,
Clorice

On Fri, Jul 3, 2020 at 3:01 PM Nada Afiva <nadaafiva.gmail.com> wrote:

> Dear Sir,
> 50 Na+ and 61 Cl- ions were calculated according to this:
> http://archive.ambermd.org/202002/0194.html
>
> After that would neutralize by adding a number of Na+, so final
> charge would be zero. Please correct me if I am wrong.
> Thanks.
>
> nadafiva
>
> Pada tanggal Jum, 3 Jul 2020 pukul 20.45 David A Case <
> david.case.rutgers.edu> menulis:
>
> > On Fri, Jul 03, 2020, Nada Afiva wrote:
> >
> > >I have protein+RNA+ligand with charge -11.00.
> > >I want salt concentration 0.15 M. Using your formula,
> > >I have to add 50 Na+ and 61 Cl- ions.
> >
> > This seems wrong: you want more cations than anions, in order to
> > neutralize the negative charge of the solute.
> >
> > ....dac
> >
> >
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Received on Fri Jul 03 2020 - 12:30:05 PDT
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