Hi Carla, I did this using g_hbond by supplying an index file with only the 3 atoms involved in the individual bond I was looking at.
I got this printed to screen: "Average number of hbonds per timeframe 0.998 out of 1 possible" Although it is time consuming to do it for more than a few hydrogen bonds. Oliver On 11 October 2010 14:49, Carla Jamous <[email protected]> wrote: > Hi everyone, > > I tried to analyze the H-bonds in my trajectory with g-hbond and I analysed > the xpm and ndx file. But now I need to know the percentage of existence of > each hbond during my trajectory. Is there a way to do it with a command > line? Or is there a program (someone told me there are python programs for > analysis of gromacs trajectories) to extract this information from the .xpm > file? > > Thank you. > > Cheers, > Carla > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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