[gmx-users] dihedral angle g_angle?
Urszula Uciechowska
urszula.uciechowska at biotech.ug.edu.pl
Fri Nov 21 11:12:11 CET 2014
HI
I use mk_angndx to produce angle.ndx
then, I entered g_angle -od angdist.xvg -ov angaver.xvg -type dihedral
it follows the options:
Group 0 ( Phi=0.0_3_0.60) has 368 elements
Group 1 ( Phi=0.0_2_4.92) has 368 elements
Group 2 ( Phi=0.0_3_0.65) has 1104 elements
Group 3 ( Phi=0.0_3_1.60) has 736 elements
Group 4 (Phi=180.0_2_0.42) has 552 elements
Group 5 ( Phi=0.0_3_1.60) has 528 elements
Group 6 ( Phi=0.0_3_0.75) has 368 elements
Group 7 (Phi=180.0_2_1.05) has 368 elements
Group 8 (Phi=180.0_1_0.84) has 368 elements
Group 9 ( Phi=0.0_2_2.72) has 184 elements
Group 10 (Phi=0.0_1_10.46) has 184 elements
Group 11 ( Phi=0.0_0_0.00) has 552 elements
Group 12 (Phi=180.0_2_7.11) has 184 elements
Group 13 (Phi=180.0_2_6.90) has 368 elements
Group 14 (Phi=180.0_2_41.84) has 92 elements
Group 15 (Phi=180.0_2_10.67) has 288 elements
Group 16 (Phi=180.0_2_12.55) has 208 elements
Group 17 (Phi=180.0_2_22.80) has 368 elements
and it goes up to group 82.
My system is a protein and would like to analyse the dihedral angles. Is
it possible for a protein systems? or this is only for the peptides?
which group should I pick up?
Best regards
Urszula
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