Erik Marklund skrev:
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?
I think i found one old version of g_hbond that has this feature.
However, like all older versions it suffers from a memory bug that
*could* potentially compromize any results that require the existence
function of the hydrogen bonds. If you're interested, please contact me
off-list and I'll send you the code.
I think this feature should go into g_hbond in the head branch, but it
will not happen before the next stable release.
--
---
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,75124 Uppsala, Sweden
phone:+46 18 471 4537fax: +46 18 511 755
er...@xray.bmc.uu.sehttp://folding.bmc.uu.se/
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