[gmx-users] Position Restrained of ions
jalemkul at vt.edu
Tue Sep 3 15:02:04 CEST 2013
On 9/3/13 8:14 AM, Steven Neumann wrote:
> Dear Gmx Users,
> i wish I could restrain some ions in my system (NA). I tried to include it
> in ions.itp:
> [ moleculetype ]
> ; molname nrexcl
> NA 1
> #ifdef POSRES_NA
> [ position_restraints ]
> ; atom type fx fy fz
> 1 1 1000 1000 1000
> But it does not work. Would you advise please?
Please define what "does not work" means.
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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