[gmx-users] Distance Restraints of 3 atoms

Steven Neumann s.neumann08 at gmail.com
Thu May 24 12:52:28 CEST 2012

Dear Gmx Users,

I want use distance restraints of 3 atoms belonging to 3 different
moleculetypes. In this case shall I create and index file of those atoms
and then use:

genrestr -f X.pdb -n index.ndx -disre -o disre.itp ?

Under which topology file shall I add:

#ifdef DISRES
# include 'disre.itp'

Please help,

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