[gmx-users] g_helixorient
Sebastian Breuers
breuerss at uni-koeln.de
Mon Nov 21 15:46:56 CET 2011
Hey,
try
xmgrace -nxy filename.xvg
Best wishes
Sebastian
Am 21.11.2011 15:42, schrieb Poojari, Chetan:
> Hi,
>
> I have a peptide inserted in membrane would like to analyze the peptide tilt.
>
> The command i have used to do this is :
>
> g_helixorient -s .tpr -f .xtc -n .ndx -otilt
>
> Index file contains all carbon alpha atoms of the helix.
>
> When i plot the tilt.xvg in xmgrace, i simply cannot obtain anything more than zero line graphic.
>
> My tilt.xvg file contains:
>
> 20 0 6.71663331985 7.67159080505 7.11331129074 6.48267745972 6.50307703018 3.75021958351 3.11895847321 4.27641773224 4.94620418549 6.23851776123 7.12995672226 13.8778572083 53.7828483582 151.92010498 19.5190696716 15.4049606323 19.654499054 0
> 40 0 13.8856639862 8.50883388519 3.26247763634 5.69738864899 13.2208509445 17.3268871307 15.3818006516 14.5039892197 15.0511980057 15.6195802689 13.389333725 9.22294712067 50.3538093567 170.862670898 45.268119812 47.6134376526 48.8991851807 0
> .
> .
> .
> .
> .
>
> Please can i know what might have gone wrong.
>
>
> Kind Regards,
> Chetan.
>
> ------------------------------------------------------------------------------------------------
> ------------------------------------------------------------------------------------------------
> Forschungszentrum Juelich GmbH
> 52425 Juelich
> Sitz der Gesellschaft: Juelich
> Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
> Vorsitzender des Aufsichtsrats: MinDirig Dr. Karl Eugen Huthmacher
> Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
> Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
> Prof. Dr. Sebastian M. Schmidt
> ------------------------------------------------------------------------------------------------
> ------------------------------------------------------------------------------------------------
--
_____________________________________________________________________________
Sebastian Breuers Tel: +49-221-470-4108
EMail: breuerss at uni-koeln.de
Universität zu Köln University of Cologne
Department für Chemie Department of Chemistry
Organische Chemie Organic Chemistry
Greinstraße 4 Greinstraße 4
Raum 325 Room 325
D-50939 Köln D-50939 Cologne, Federal Rep. of Germany
_____________________________________________________________________________
More information about the gromacs.org_gmx-users
mailing list