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

[Justin Lemkul]

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

-- 
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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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