[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>
>
> ==============================__==========
> --
> gmx-users mailing list gmx-users at gromacs.org
> <mailto:gmx-users at gromacs.org>
> http://lists.gromacs.org/__mailman/listinfo/gmx-users
> <http://lists.gromacs.org/mailman/listinfo/gmx-users>
> Please search the archive at
> http://www.gromacs.org/__Support/Mailing_Lists/Search
> <http://www.gromacs.org/Support/Mailing_Lists/Search> before posting!
> Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org
> <mailto:gmx-users-request at gromacs.org>.
> Can't post? Read http://www.gromacs.org/__Support/Mailing_Lists
> <http://www.gromacs.org/Support/Mailing_Lists>
>
>
--
========================================
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
========================================
More information about the gromacs.org_gmx-users
mailing list