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 ? Best regards
--- On Mon, 2/1/10, Justin A. Lemkul <[email protected]> wrote: From: Justin A. Lemkul <[email protected]> Subject: Re: [gmx-users] non-equilibrium MD simulations To: "Discussion list for GROMACS users" <[email protected]> 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 [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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