[gmx-users] calculating ionic strength
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Jun 6 01:24:28 CEST 2008
jayant james wrote:
> Hi all !!
> I want to add 150mM KCl into a cubic box that contains a protein in an
> aqueous environment. How am I to calculate as to how? many Ions of K and
> Cl, I need to add to bring to the above said salt conc?
This sounds like a homework exercise for a first-year chemistry student!
Work out the volume, then use the concentration to get a number of ions.
Mark
More information about the gromacs.org_gmx-users
mailing list