[Chimera-users] question on monitoring hydrogen bonds
knutsost
knutsost at wfu.edu
Fri Feb 3 12:50:23 PST 2006
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
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