[gmx-users] H-Bonding residues against specific frames

Agnivo Gosai agnivogromacs14 at gmail.com
Mon Feb 9 00:08:36 CET 2015

Dear Users

I am using g_hbond to get the H-bonds for a particular simulation over the
entire trajectory. In the log file I can find which reesidues are forming
However , I want the H-bonds formed over the entire simulation length frame
wise or for a particular frame. How can I do so ?

I was thinking of extracting every frame (using trjconv) from my total of
501 frames and running g_hbond on each of the frames. But that seems to be
a laborious process. Is there any way out ?

Thanks & Regards
Agnivo Gosai
Grad Student, Iowa State University.

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