oguz gurbulak wrote:
Hi Justin,
I study on md simulations of hydrocarbons and I want to apply an
electrical field in one direction in my md simulations. Is it possible
to do this in Gromacs ? and generally what can be done to simulation
system about non-equilibrium MD in Gromacs ? I didn't find any
information about this issue. So I will be very happy if you provide me
some information
about non-equilibrium MD ?
I would suggest starting with the manual, section 7.3.25 "Electric Fields."
-Justin
Best regards
--- On *Mon, 2/1/10, Justin A. Lemkul /<jalem...@vt.edu>/* wrote:
From: Justin A. Lemkul <jalem...@vt.edu>
Subject: Re: [gmx-users] non-equilibrium MD simulations
To: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Date: Monday, February 1, 2010, 7:08 AM
oguz gurbulak wrote:
> Dear All,
> I'm searching for a non-equilibrium MD tutorial done with
Gromacs. Could you please help me to find a NEMD tutorial ?
>
"Non-equilibrium" can encompass a variety of topics, so if you want
specific advice, you'll have to be more specific. And, as I just
mentioned to someone else:
http://lists.gromacs.org/pipermail/gmx-users/2010-February/048498.html
-Justin
> Thank in advance .
>
>
-- ========================================
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
========================================
-- gmx-users mailing list gmx-users@gromacs.org
<http://us.mc363.mail.yahoo.com/mc/compose?to=gmx-us...@gromacs.org>
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org
<http://us.mc363.mail.yahoo.com/mc/compose?to=gmx-users-requ...@gromacs.org>.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
