[gmx-users] CGMD with cut-off Verlet?

[Mark Abraham]

Hi,

And follow the advice of the Martini authors for using the Verlet scheme
with their forcefield.

Mark

On Fri, 23 Jun 2017 17:20 Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/23/17 11:08 AM, Alex Mathew wrote:
> > Dear all,
> >
> > While running CGMD in GPU i got this error
> >
> > OpenMP threads have been requested with cut-off scheme Group, but these
> are
> > only supported with cut-off scheme Verlet
> >
> > Here can i change the cut-off scheme to Verlet ?
>
> Amazingly enough:
>
> cutoff-scheme = Verlet
>
> in the .mdp file :)
>
> -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.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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