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
#endif
But it does not work. Would you advise please?
Please define what "does not work" means.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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