[gmx-users] question about g_sgangle

jeremy adler jeremyeadler at gmail.com
Wed May 4 21:36:19 CEST 2011


When i used g_sgangle, i specified 2 index groups of 3 atoms each and gave
the -oa flag to get the angle between them. I got two columns of output
(besides the time index) - one with much larger values on the right (they
look reasonable) and one with much smaller values on the left. what is the
difference between these two outputs?
# This file was created Wed May  4 15:25:23 2011
# by the following command:
# g_sgangle -f ../../exp.1/fullsystem.md.restart.1.xtc -s
../../exp.1/fullsystem.md.restart.1.tpr -n helixorient.ndx -oa
# g_sgangle is part of G R O M A C S:
# Gnomes, ROck Monsters And Chili Sauce
@    title "Angle between aproa and aprob"
@    xaxis  label "Time (ps)"
@    yaxis  label "Angle (degrees)"
@TYPE xy
           0      0.803241       36.5593
         150      0.995972       5.14453
         300      0.909836       24.5173


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