Hi,

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

University of Mons

20, Place du Parc B-7000 Mons (Belgium)

Tel : +32(0)65 37 38 65