[gmx-users] g_helixorient issue

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu May 20 10:31:58 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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