[gmx-users] CA ions

[Iman Katouzian]

Good day,

I want to simulate my protein in gromacs and in this simulation I need to
add a certain concentration of CA ions to my system. However, I have no
idea about how to do this so first I have to neutralize my system and then
need to add the needed CA ions which act as binding agents* (necessary
factor in experiments) *in my protein. I have heard that with -neutral and
-conc for adding the certain concentration I can do this thing.
I would appreciate it if somebody can help me with this issue.

Thanks.
-- 

*Iman Katouzian*

*Ph.D.** candidate of Food Process Engineering*

*Faculty of Food Science and Technology*

*University of Agricultural Sciences and Natural Resources, Gorgan, Iran*