[gmx-users] Salt concentration!

Mark Abraham mark.abraham at anu.edu.au
Fri Mar 16 03:57:49 CET 2007

> Dear users:
>      My protein is large,so I use genbox -shell 1.2 to add water,
> Then I genion -conc 0.15 -neutral, At last,In .top file I find 7703 water,
> but there are 183 Na+,170 cl-,I want to know whether ions is too more.
>     Is this normal?
>     Could somebody tell me?

How about finding your simulation volume and doing some high-school
arithmetic to check the concentrations are what you wanted?


More information about the gromacs.org_gmx-users mailing list