[gmx-users] g_bundle issue

[Anirban Ghosh]

Hi ALL,

I tried to calculate the helix tilt of a single helix (TM5) among 7 helices
using g_bundle. In the index file I defined the two groups (top & bottom) as
the C-alpha of the first 5 and last 5 residues of TM5 respectively. But in
the bun_tilt.xvg file I am getting the values as:

---------------------------------------------------------------------------------------------------------------------------------------
# This file was created Thu May 20 15:29:50 2010
# by the following command:
# g_bundle -f prot.xtc -s prot.tpr -n TM5_top_bot.ndx -na 1
#
# g_bundle is part of G R O M A C S:
#
# GRowing Old MAkes el Chrono Sweat
#
@    title "Axis tilts"
@    xaxis  label "Time (ps)"
@    yaxis  label "(degrees)"
@TYPE xy
          0      0
          2 0.0197823
          4      0
          6 0.0197823
          8      0
         10      0
         12 0.0197823
         14      0
         16 0.0197823
         18      0
         20 0.0279765
         22      0
         24      0
         26 0.0197823
         28      0
         30      0
         32      0
         34      0
         36      0
         38 0.0197823
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
And when plotted it gives a blank plot. Why it is coming like this? Am I
doing anything wrong? Any suggestion is welcome.
The contents of the index file is:

[ top ]
1844 1850 1858 1866 1878 1896 1904 1913 1922 1940 1948 1956 1965 1974 1983
1991
[ bottom ]
2000 2008 2014 2024 2032 2041 2050 2067 2079 2092 2101 2109 2118 2124 2132
2138 2146


Regards,

Anirban
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