[gmx-users] Tutorial updates

Oliver Stueker ostueker at gmail.com
Wed Jul 9 20:40:53 CEST 2014


Hi Justin,

Do you plan to keep the Gromacs 4.x versions of your tutorials (which by
the way are excellent) around for a little longer as well?

>From my experience It will still take quite some time until Gromacs 5 is
available on most Clusters and Linux-package repositories, whereas the
Gromacs 4 versions are readily available.


Best,
Oliver



On Mon, Jul 7, 2014 at 7:48 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
> All,
>
> For anyone using my tutorials, you will notice some changes in the coming
> days.  I am updating all of them to be compatible with the newly released
> Gromacs version 5.0.  Most of these changes will be superficial, such as
> small changes to command names or options.  I have already updated all of
> the tutorials except the ones related to free energy calculations, since
> these will require the greatest amount of work given the changes in .mdp
> options.
>
> Be advised that content will be somewhat fluid over the next few days, as
> I find time to make the necessary changes.  Feedback on clarity and
> correctness is always welcome.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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