[gmx-users] g_helixorient issue
Anirban Ghosh
reach.anirban.ghosh at gmail.com
Thu May 20 13:26:47 CEST 2010
Hi ALL,
I am trying to find out the tilt of a helix during a simulation. I am using
g_helixorient with the -otilt option. However I am getting the following
output, which when plotted using xmgrace, gives a straight along y=0.
-------------------------------------------------------------------------------------------------------------------------------------------
#
# g_helixorient is part of G R O M A C S:
#
# GRoups of Organic Molecules in ACtion for Science
#
@ title "Cumulative local helix tilt"
@ xaxis label "Time(ps)"
@ yaxis label "Tilt (degrees)"
@TYPE xy
2 0 3.59540820122 4.23953723907
5.74576044083 5.6402220726 2.99320435524 3.96751046181
6.91547298431 6.31750774384 5.70830202103 1.80687570572
7.90452051163 5.55429792404 4.31077575684 13.4955091476
10.8693380356 6.69678354263 1.31864273548 8.81209087372
15.0920114517 16.4434986115 13.5757684708 12.6605091095
9.8941411972 5.95952320099 2.22252321243 4.23878717422
11.9125547409 15.2392578125 10.1373329163 2.50473761559
2.98708963394 0
4 0 0.193250104785 1.85375285149
4.66010427475 5.73465776443 3.59665036201 3.71966171265
5.86217069626 5.20570230484 4.28636741638 5.67181348801
11.8561506271 10.814948082 5.25330686569 3.01665711403
3.18814969063 6.12658023834 10.8786859512 13.1984567642
15.8662624359 17.954416275 9.97754955292 3.82837629318
7.25565767288 4.87507200241 3.15822839737 5.81644439697
6.56520318985 7.59149551392 5.39911794662 2.35803961754
4.94186830521 0
6.00000047684 0 2.78084087372 2.5538725853
3.53664851189 8.43361949921 14.9152889252 13.8589410782
6.69923400879 11.7872600555 17.235452652 10.804684639
12.8906936646 8.97919082642 5.77191448212 10.7680120468
9.71301746368 8.88746261597 11.2511634827 10.2795152664
8.69139575958 7.55489444733 3.24237656593 1.74266982079
2.97382640839 4.06995248795 3.69015669823 2.21045541763
2.92166733742 4.46332454681 4.28108978271 3.39760541916
4.10340261459 0
8 0 5.4110045433 5.6742272377
8.93139266968 11.78748703 8.76127147675 5.92636489868
2.52738213539 6.26234388351 10.0182924271 2.88692927361
8.24374771118 4.96652746201 8.74504089355 17.1016178131
14.6491327286 8.4348487854 9.48077583313 11.1341199875
11.3733386993 14.3028717041 12.8801784515 7.42469358444
3.8417494297 4.05829715729 1.93718624115 2.07590007782
6.72165203094 9.81841278076 9.60572147369 6.2793135643
4.37946939468
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
How to visualize this file properly? Why is the .xvg file written in this
manner? Any suggestion is welcome.
Regards,
Anirban
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