[gmx-users] Binary mixture

[spss4 at iacs.res.in]

  ----- Message from Justin Lemkul <jalemkul at vt.edu> ---------
    Date: Fri, 15 Sep 2017 11:12:37 -0400
    From: Justin Lemkul <jalemkul at vt.edu>
Reply-To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Binary mixture
      To: gmx-users at gromacs.org

> On 9/15/17 10:59 AM, spss4 at iacs.res.in wrote:
>> Hi all
>> I want to prepare a  cubic box of 6M urea. How many molecules of urea
and
>> how many water molecules should be added to the simulation box? How to
>> calculate these numbers? Please help me to solve this.
>
> Everything depends on the size of the box, which is somewhat arbitrary. 
> If you have a volume, you can easily calculate the number of molecules
> required to reach the desired molarity.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
>
> 303 Engel Hall
> 340 West Campus Dr.
> Blacksburg, VA 24061
>
> jalemkul at vt.edu | (540) 231-3129
> http://www.biochem.vt.edu/people/faculty/JustinLemkul.html
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests
> visithttps://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or send a mail to gmx-users-request at gromacs.org.

If my box size is 343 nm^3 then how I can calculate the number of urea and
water?

----- End message from Justin Lemkul <jalemkul at vt.edu> -----