[gmx-users] water medium

Justin A. Lemkul jalemkul at vt.edu
Tue May 18 13:08:49 CEST 2010

tahereh tekieh wrote:
> dear friends
> i want to simulate a water medium in which 5 types of different ions 
> flow in it. how can i do that with gromacs?
> thanks

Assuming they are monoatomic, you can use genion after you have added water.  If 
they are polyatomic, use genbox -ci -nmol (before filling the box with water).



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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