[gmx-users] refcoord-scaling without pressure coupling
johnny.lu128 at gmail.com
Mon Apr 13 15:48:44 CEST 2015
Next time I don't have to swing the mouse to make the door open (even when
swing the mouse does nothing).
On Mon, Apr 13, 2015 at 9:46 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> 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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