[gmx-users] (no subject)

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 15 20:10:04 CEST 2011



Sara baretller wrote:
> yes
> 
> i had X M and i convert it to X molecule / mol using Avogadro's number. 
> but how do i get only molecules or ions
> 

I'm not following your notation.  If you've got a given concentration (mol/L), 
you obtain molecules/L by using Avogadro's number.  Then just multiply by the 
volume of the box to get the number of molecules or ions.

-Justin

> On Fri, Jul 15, 2011 at 1:52 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     Sara baretller wrote:
> 
>         Hi All
> 
>         I have  a question about adding ions to the system. using Genion
>         one can add ions but how can you convert molecule/mol to number
>         of molecules or ions ??
>         let say 2 e 23 molecule/mol to X number of molecule or ions
> 
> 
>     Use Avogadro's number.
> 
>     -Justin
> 
>     -- 
>     ==============================__==========
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     <tel:%28540%29%20231-9080>
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
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-- 
========================================

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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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