[gmx-users] calculating ionic strength

Justin A. Lemkul jalemkul at vt.edu
Fri Jun 6 00:50:38 CEST 2008

Use some basic stoichiometry and unit conversion, or use the -conc 
option of genion, which will do it for you.


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?
> Thanks
> Jayant
> -- 
> Jayasundar Jayant James
> www.chick.com/reading/tracts/0096/0096_01.asp 
> <http://www.chick.com/reading/tracts/0096/0096_01.asp>)
> ------------------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list