[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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