[gmx-users] Query regarding g_rmsf and g_hbond

[Erik Marklund]

rituraj purohit skrev:
> Dear friends,
>
> I have some query regarding g_rmsf and g_hbond
>
> 1) Through g_rmsf we can plot rmsf Vs atom number (it is by default)
> but i want to plot  rmsf Vs time, how i can do that?
>
> 2) Through g_hbond we can plot number of H-bonds Vs Time (By default)
> but i want to plot number of h-bonds Vs residues.
>
>
> Is it possible? I tried all the flag given in manual :( but i din not
> got desire plots.
>
>
> Regards
> Rituraj
>   
I think I implemented this feature in g_hbond at some point, but I never 
pushed it to the master branch. I'll see what I can dig up from the 
vaults. Until then you can in principle extract that information from 
the -hbn and -hbm output.

As for the rmsf issue, isn't this what you get from g_rms?

-- 
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/