[gmx-users] addition of hydronium ion in simulation box

Justin Lemkul jalemkul at vt.edu
Mon Sep 21 14:16:23 CEST 2015

On 9/21/15 5:33 AM, Padmani Sandhu wrote:
> Hello all,
> How we can hydronium ions in a simulation box...????

gmx insert-molecules -ci -nmol, but I doubt that hydronium ions are useful in 
any way (it doesn't change the "pH" of the system).



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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