Maybe someone here is familiar with supramolecules calculations using Spartan? I am new in this area and trying to figure out some things: First - what's the best way to draw them? I tried to draw one molecule and then using copy-paste append the others but then they overlap and it takes forever to minimize their energy so they make hydrogen bonds in the places I need. Maybe there is any way to 'freeze' hydrogen bonds? Because I now where they shoud be (or at least want to calculate different structures with hb in different places of molecules). If I try to put this molecules near when sketching still when I try to minimize the energy hb forms not in the exact places I need them to be. And I need four molecules to form kinda cyclic-structure. Thank you in advance!
You can create distance constraints between two atoms (set them to the distance you expect for the hydrogen bonds), and then do a force field minimisation.
It's in the menu called Geometry, and then "Constrain distance". You pick the atoms, and click the little lock in the lower right-hand corner, and then enter the distance you want next to the lock.