# This file was created Sat Dec 13 13:04:13 2014 # by the following command: # g_order -s md.tpr -f md.xtc -n sn2.ndx -d z -od deuter_sn2.xvg # # g_order is part of G R O M A C S: # # GROup of MAchos and Cynical Suckers # @ title "Order tensor diagonal elements" @ xaxis label "Atom" @ yaxis label "S" @TYPE xy 1 -0.102647 -0.193618 0.296265 2 -0.190737 -0.231943 0.422681 3 -0.208957 -0.230409 0.439365 4 -0.22563 -0.223984 0.449614 5 -0.219495 -0.215074 0.43457 6 -0.206527 -0.192789 0.399315 7 -0.18064 -0.167057 0.347697 8 -0.158252 -0.102703 0.260955 9 -0.157417 -0.0755174 0.232934 10 -0.129372 -0.129545 0.258917 11 -0.126924 -0.111243 0.238167 12 -0.132834 -0.1173 0.250135 13 -0.11631 -0.109422 0.225732 14 -0.119864 -0.100603 0.220466 15 -0.100755 -0.0946265 0.195382 16 -0.0844915 -0.0733024 0.157794