[gmx-users] define atoms

shahrbanoo karbalaee shahrbanoo at gmail.com
Sun Apr 12 11:22:20 CEST 2009


Dear justin
how do I know,what is the name of    atom 17 in rmsf table of  backbone group.?
# g_rmsf -f md.xtc -s md.tpr -o traj_rmsfbackbon.xvg -ox
traj_avgazrmsfbackbon.pdb
#
# g_rmsf is part of G R O M A C S:
#
# God Rules Over Mankind, Animals, Cosmos and Such
#
@    title "RMS fluctuation"
@    xaxis  label "Atom"
@    yaxis  label "(nm)"
@TYPE xy
    1   0.0351
    2   0.0228
    3   0.0233
    4   0.0220
    5   0.0206
    6   0.0187
    7   0.0190
    8   0.0206
    9   0.0211
   10   0.0184
   11   0.0178
   12   0.0210
   13   0.0182
   14   0.0186
   15   0.0224
   16   0.0249
   17   0.0276
   18   0.0235
   19   0.0241
......................I delet by hand for low  space

   39   0.0283
   40   0.0488

--best
sh-karbalaee



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