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... ... ...
I have played with other options too e.g. axis.dat, center.dat, radius.xvg,
rise.xvg, rot.xvg etc. they all look like the above.
Any help is very much appreciated.
Thanks again,
Huiwen
From: [email protected] [mailto:[email protected]] On
Behalf Of Mark Abraham
Sent: Thursday, November 24, 2011 10:39 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Visualizing g_helixorient output
On 23/11/2011 8:59 PM, NG HUI WEN wrote:
Dear all,
I have a follow up question from this recent post
http://www.mail-archive.com/[email protected]/msg45736.html regarding the
visualization of g_helixorient output.
According to the post, one needs to use xmgrace with -nxy to view the data
properly. I have not got the xmgrace program installed and am just wondering if
one could use programs like gnuplot (with some special commands perhaps)
instead?
Yes, you will be able to generate a plot. See
http://www.gromacs.org/Documentation/How-tos/Graphing_Data
Mark
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