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, Steven
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