Hi:
I am interested in monitoring the hydrogen bonds which form/break
between specific residues over the course of a MD simulation in CHARMM.
I am wondering if you have any way to record things like bond counts
over time for the set of residues, or just to spit out a list of the
bonds which form and break over the trajectory time course? I really
appreciate any help you could give me with this! Thanks,
Stacy Knutson
Research Associate
Wake Forest University
