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

[Agnivo Gosai]

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
H-bonds.
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.