[Chimera-users] HBond on every frames of a large trajectory

Jérémie KNOOPS [531802] Jeremie.KNOOPS at umons.ac.be
Fri Apr 22 09:30:15 PDT 2016


What is the easiest and fastest way to get the number of H bonds on every frame of a large trajectory (>10 000 frames) and print it to a file?
The hbonds command does not seem to work with the perframe command and displaying the whole trajectory to run a per-frame script is quite slow.

Jérémie Knoops
PhD Student
Laboratory for Chemistry of Novel Materials<http://morris.umh.ac.be/default.aspx>
University of Mons<http://portail.umons.ac.be/en2/>
20, Place du Parc B-7000 Mons (Belgium)
Tel : +32(0)65 37 38 65<tel:%2B32%280%2965%2037%2038%2065>

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