[Chimera-users] question on monitoring hydrogen bonds

knutsost knutsost at wfu.edu
Fri Feb 3 12:50:23 PST 2006


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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