[gmx-users] Error in volume coupling, no domain decomposition

Justin Lemkul jalemkul at vt.edu
Wed Jul 1 14:37:51 CEST 2015

On 7/1/15 12:52 AM, shabana yasmeen wrote:
> I have used mdrun -nt 1.. can anyone guide me that Is this command doing
> volume couling and after this command is there any need to do volume
> coupling again???

mdrun does whatever you tell it.  The .mdp settings dictate the physics, 
ensemble, etc.



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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