[gmx-users] Visualizing g_helixorient output

Mark Abraham Mark.Abraham at anu.edu.au
Thu Nov 24 05:13:37 CET 2011


On 24/11/2011 1:50 PM, NG HUI WEN wrote:
>
> Dear Mark,
>
> Many thanks for taking the time to answer my question.
>
> I've had a look at the link. However, as the g_helixorient output 
> files are a little "unconventional-looking", I am not sure if gnuplot 
> could handle them.
>
> This is how my bending.xvg file looks like when I view it on my linux 
> terminal
>
>               0                0                0    15.5414686203    
> 13.9671831131    5.49754190445    1.83397710323    4.68
>
> 052530289   0.683569073677    4.43345403671    8.25963497162    
> 5.08707904816    13.3334512711    7.34296607971    2.19187068
>
> 939    2.44664645195   0.202708780766    3.66099739075    
> 10.3064308167    4.37143564224   0.971765637398    12.6073293686
>
> 81.1007080078    66.1958847046    28.0650749207    12.9960222244    
> 16.3757514954                0                0
>
>   100.000007629                0                0    2.19846844673    
> 3.11483025551   0.664996445179    1.77089393139    5.45
>
> 826148987    5.11829614639    2.50709962845    2.90959501266    
> 4.06375169754    9.80808544159    12.7944087982     2.6745197
>
> 773    4.58594942093    1.63769423962    2.60466551781   
> 0.494560062885    5.87983322144    2.39179229736    17.8020935059
>
> 89.3860473633    78.2087173462    22.6202278137    7.18984699249    
> 2.18211603165                0                0
>
>   200.000015259                0                0    11.4898967743    
> 14.8035535812    11.0557250977    4.95649862289    5.58
>
> 447694778    8.45914077759    5.94662857056   0.607162833214     
> 2.6271879673     8.9500579834    2.29822874069    7.87417221
>
> 069   0.892409682274    7.41711711884    2.01197814941    
> 7.29352807999    3.83971619606   0.767958164215    15.4690599442
>
> 87.5663528442    73.4160614014    24.1331748962    8.33314704895    
> 2.42648363113                0                0
>
>             300                0                0    12.7444248199    
> 11.3533630371    6.02183914185    2.64138007164    1.24
>
> 458372593   0.375344187021    2.73659491539    4.94989299774    
> 5.81749725342    16.2174777985    8.22213363647    4.51266765
>
> 594    4.29477596283    7.25417470932    12.5503282547    
> 5.51523017883     4.4407377243    9.50404548645    17.9626598358... 
> ... ...
>
>

This is not really a GROMACS question... but with gnuplot:

plot 'file.xvg' using 1:2, 'file.xvg' using 1:3, ...

Mark
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