[gmx-users] Distance Restraints of 3 atoms

[Steven Neumann]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120524/532d9c9f/attachment.html>