[gmx-users] Position Restrained of ions

Steven Neumann s.neumann08 at gmail.com
Tue Sep 3 14:14:33 CEST 2013

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?


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