[gmx-users] Repulsive potential

[Mark Abraham]

Hi,

I've probably got no idea, but "repulsive potential" needs a lot of
clarification before the question is well formed.

Mark

On Wed, Aug 17, 2016 at 12:00 AM Mostafa Javaheri <
javaheri.gromacs at gmail.com> wrote:

> Dear Justin and Mark
> Thank you for your time and consideration, that would be great too if you
> could help me with this question:
> How could I introduce repulsive potential in my simulation by using this
> feature?
> Best Regards
>
> On Wed, Aug 17, 2016 at 2:18 AM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
> > Hi,
> >
> > GROMACS 5.1.x also has this feature.
> >
> > Mark
> >
> > On Tue, Aug 16, 2016 at 11:37 PM Justin Lemkul <jalemkul at vt.edu> wrote:
> >
> > >
> > >
> > > On 8/16/16 5:29 PM, Mostafa Javaheri wrote:
> > > > Dear gmx experts,
> > > >
> > > > I want to install GROMACS using
> > > > * intermolecular bonded interaction support*. Two categories of
> > patching
> > > > files uploaded in this URL https://gerrit.gromacs.org/#/c/2566/.
> > > > 1-The archive file named "6ab8ccf2".
> > > > 2- A single patch-file named "6ab8ccf2.diff".
> > > > I would be grateful if you could tell me how to patch GROMACS by
> using
> > > > these files and which GROMACS version should I use.
> > > >
> > > > Any help will be appreciated
> > > >
> > >
> > > This code was merged over a year ago, just install GROMACS-2016 and you
> > > can use
> > > the feature.
> > >
> > > -Justin
> > >
> > > --
> > > ==================================================
> > >
> > > Justin A. Lemkul, Ph.D.
> > > Ruth L. Kirschstein NRSA Postdoctoral Fellow
> > >
> > > Department of Pharmaceutical Sciences
> > > School of Pharmacy
> > > Health Sciences Facility II, Room 629
> > > 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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