[gmx-users] water medium
golesang80 at gmail.com
Wed May 19 09:07:09 CEST 2010
but genion only accepts one type of ion, how can we insert different types?
On Tue, May 18, 2010 at 3:38 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 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?
> 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
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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