Hello, I have measured J couplings across hydrogen bonds, and they tell me that the hydrogen bonds must have a rather "nice" geometry, i.e. they must be short and straight. Is there a way to use this knowledge as a restraint? I have, of course, set distance restraints between the hydrogen bond donor and acceptor; how can I constrain the N--H-H angle to 180 degrees?
I am using XPLOR-NIH version 2.16.0 on Mac OS 10.5.7. Thanks, Martin
