[gmx-users] Repulsive potential
mark.j.abraham at gmail.com
Tue Aug 16 23:48:33 CEST 2016
GROMACS 5.1.x also has this feature.
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 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
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