[Openmd-users] (no subject)
Dan Gezelter
gezelter at nd.edu
Thu May 18 13:53:36 EDT 2017
Dear Tanni,
You might want to take a look at the example here: http://openmd.org/building-and-equilibrating-a-gold-nanoparticle-in-openmd/
Notably, steps 4->6 show how to set up parameters to assign initial velocities and run the program using openmd.
Best regards,
--Dan Gezelter
> On May 18, 2017, at 6:52 AM, tanni bhattacharjee <tanni222byc at gmail.com> wrote:
>
>
> ---------- Forwarded message ----------
> From: tanni bhattacharjee <tanni222byc at gmail.com>
> Date: Thu, May 18, 2017 at 4:18 PM
> Subject:
> To: openmd-users at openmd.org, openmd-developers at openmd.org
>
>
> hello users!
>
> i want to create gold nanoparticle.will you please tell me the steps how should i proceed.i am completely new in openmd.
>
> after creating my initial structure as pdb or xyz how can i processed further?
> what is the command to run omd file?
>
>
>
*************************************************************
J. Daniel Gezelter
Professor and Director of Undergraduate Studies
Department of Chemistry and Biochemistry
251 Nieuwland Science Hall
University of Notre Dame
Notre Dame, IN 46556-5670
gezelter at nd.edu | (574) 631-7595 | http://gezelterlab.org
*************************************************************
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