[gmx-users] refcoord-scaling without pressure coupling

Justin Lemkul jalemkul at vt.edu
Mon Apr 13 15:46:20 CEST 2015

On 4/13/15 9:44 AM, Johnny Lu wrote:
> Dear GMX users,
> If I set "refcoord-scaling = com" and also "pcoupl = no", will that
> "refcoord-scaling = com" do anything (like introducing additional numerical
> error in a NVE simulation) ?

No.  The option is only relevant with pressure coupling.



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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