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root/group/trunk/NPthiols/sources/ligand_orientation/NP15.agr
Revision: 4160
Committed: Wed May 28 20:40:48 2014 UTC (11 years, 5 months ago) by kstocke1
File size: 22459 byte(s)
Log Message:
Added source files for data and figures

File Contents

# User Rev Content
1 kstocke1 4160 # Grace project file
2     #
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641     0.97 0
642     0.99 0
643     &
644     @target G0.S1
645     @type xy
646     -0.99 3.1699581
647     -0.97 3.0483124
648     -0.95 2.9542585
649     -0.93 2.7649581
650     -0.91 2.5982044
651     -0.89 2.4919166
652     -0.87 2.3438801
653     -0.85 2.1824046
654     -0.83 2.0794739
655     -0.81 1.9290355
656     -0.79 1.7862813
657     -0.77 1.6545579
658     -0.75 1.5055619
659     -0.73 1.4273487
660     -0.71 1.3527279
661     -0.69 1.2903451
662     -0.67 1.225802
663     -0.65 1.1756593
664     -0.63 1.1401482
665     -0.61 1.1060794
666     -0.59 1.0417766
667     -0.57 1.006028
668     -0.55 0.95060406
669     -0.53 0.86998702
670     -0.51 0.82967912
671     -0.49 0.80808502
672     -0.47 0.74738268
673     -0.45 0.68596042
674     -0.43 0.64445286
675     -0.41 0.59790606
676     -0.39 0.53552411
677     -0.37 0.48201974
678     -0.35 0.44842986
679     -0.33 0.39972371
680     -0.31 0.34693905
681     -0.29 0.29823311
682     -0.27 0.26080427
683     -0.25 0.24065022
684     -0.23 0.18810532
685     -0.21 0.17011043
686     -0.19 0.15163568
687     -0.17 0.12908241
688     -0.15 0.11804567
689     -0.13 0.077977228
690     -0.11 0.070779491
691     -0.09 0.061422137
692     -0.07 0.040548204
693     -0.05 0.036709331
694     -0.03 0.024952744
695     -0.01 0.023513159
696     0.01 0.016075335
697     0.03 0.012236433
698     0.05 0.01055692
699     0.07 0.0088774134
700     0.09 0.0069579809
701     0.11 0.0052784579
702     0.13 0.0038388897
703     0.15 0.0035989596
704     0.17 0.0031190933
705     0.19 0.00047986018
706     0.21 0
707     0.23 0
708     0.25 0
709     0.27 0
710     0.29 0
711     0.31 0
712     0.33 0
713     0.35 0
714     0.37 0
715     0.39 0
716     0.41 0
717     0.43 0
718     0.45 0
719     0.47 0
720     0.49 0
721     0.51 0
722     0.53 0
723     0.55 0
724     0.57 0
725     0.59 0
726     0.61 0
727     0.63 0
728     0.65 0
729     0.67 0
730     0.69 0
731     0.71 0
732     0.73 0
733     0.75 0
734     0.77 0
735     0.79 0
736     0.81 0
737     0.83 0
738     0.85 0
739     0.87 0
740     0.89 0
741     0.91 0
742     0.93 0
743     0.95 0
744     0.97 0
745     0.99 0
746     &
747     @target G0.S2
748     @type xy
749     -0.99 3.5099385
750     -0.97 3.3818781
751     -0.95 3.1676768
752     -0.93 2.9440456
753     -0.91 2.7724966
754     -0.89 2.6228896
755     -0.87 2.5161605
756     -0.85 2.3305838
757     -0.83 2.1954226
758     -0.81 2.0897783
759     -0.79 1.8991938
760     -0.77 1.8331958
761     -0.75 1.6689898
762     -0.73 1.5614305
763     -0.71 1.4837194
764     -0.69 1.362853
765     -0.67 1.3265603
766     -0.65 1.1743304
767     -0.63 1.074465
768     -0.61 1.0042321
769     -0.59 0.91161764
770     -0.57 0.79191049
771     -0.55 0.70915266
772     -0.53 0.64972741
773     -0.51 0.57341907
774     -0.49 0.50495781
775     -0.47 0.47746848
776     -0.45 0.42186709
777     -0.43 0.4037837
778     -0.41 0.37525471
779     -0.39 0.34681785
780     -0.37 0.34227148
781     -0.35 0.31886458
782     -0.33 0.31763115
783     -0.31 0.30768758
784     -0.29 0.28607947
785     -0.27 0.25912652
786     -0.25 0.22460907
787     -0.23 0.18952832
788     -0.21 0.17815754
789     -0.19 0.14063251
790     -0.17 0.13071601
791     -0.15 0.11389281
792     -0.13 0.10762415
793     -0.11 0.098568644
794     -0.09 0.087170443
795     -0.07 0.086393746
796     -0.05 0.07133003
797     -0.03 0.063024042
798     -0.01 0.061505283
799     0.01 0.054449964
800     0.03 0.054070269
801     0.05 0.042126127
802     0.07 0.035802849
803     0.09 0.029988345
804     0.11 0.023590633
805     0.13 0.011795317
806     0.15 0.012276759
807     0.17 0.006980891
808     0.19 0.0050551325
809     0.21 0.0038515419
810     0.23 0.0021664833
811     0.25 0.0014443236
812     0.27 0.00048144119
813     0.29 0.00024072059
814     0.31 0
815     0.33 0
816     0.35 0
817     0.37 0
818     0.39 0
819     0.41 0
820     0.43 0
821     0.45 0
822     0.47 0
823     0.49 0
824     0.51 0
825     0.53 0
826     0.55 0
827     0.57 0
828     0.59 0
829     0.61 0
830     0.63 0
831     0.65 0
832     0.67 0
833     0.69 0
834     0.71 0
835     0.73 0
836     0.75 0
837     0.77 0
838     0.79 0
839     0.81 0
840     0.83 0
841     0.85 0
842     0.87 0
843     0.89 0
844     0.91 0
845     0.93 0
846     0.95 0
847     0.97 0
848     0.99 0
849     &
850     @target G0.S3
851     @type xy
852     -0.99 3.2324594
853     -0.97 3.2200316
854     -0.95 3.1443353
855     -0.93 2.9462253
856     -0.91 2.6579417
857     -0.89 2.421754
858     -0.87 2.1112124
859     -0.85 1.9163305
860     -0.83 1.6468225
861     -0.81 1.4456319
862     -0.79 1.2530841
863     -0.77 1.1287682
864     -0.75 0.99981471
865     -0.73 0.89919526
866     -0.71 0.79077618
867     -0.69 0.70007462
868     -0.67 0.61241358
869     -0.65 0.5513276
870     -0.63 0.46624475
871     -0.61 0.3803494
872     -0.59 0.31325325
873     -0.57 0.25241409
874     -0.55 0.21233883
875     -0.53 0.17551567
876     -0.51 0.13796328
877     -0.49 0.1139156
878     -0.47 0.092653904
879     -0.45 0.071996365
880     -0.43 0.052324642
881     -0.41 0.045107044
882     -0.39 0.03412713
883     -0.37 0.025816515
884     -0.35 0.017862778
885     -0.33 0.014309995
886     -0.31 0.0084956187
887     -0.29 0.0063640061
888     -0.27 0.0045883176
889     -0.25 0.0025524238
890     -0.23 0.0016774654
891     -0.21 0.00092168286
892     -0.19 0.00071112374
893     -0.17 0.00040961318
894     -0.15 0.00029187716
895     -0.13 0.0001948732
896     -0.11 0.00016277879
897     -0.09 5.4483761e-05
898     -0.07 3.1782164e-05
899     -0.05 1.0810275e-05
900     -0.03 4.3241096e-06
901     -0.01 4.3241143e-07
902     0.01 4.0838801e-07
903     0.03 1.2972312e-06
904     0.05 4.20399e-06
905     0.07 5.885586e-06
906     0.09 3.8916936e-06
907     0.11 2.9067588e-06
908     0.13 0
909     0.15 0
910     0.17 1.3885178e-05
911     0.19 8.6722308e-06
912     0.21 0
913     0.23 1.2708061e-05
914     0.25 0
915     0.27 0
916     0.29 0
917     0.31 0
918     0.33 0
919     0.35 0
920     0.37 0
921     0.39 0
922     0.41 0
923     0.43 0
924     0.45 0
925     0.47 0
926     0.49 0
927     0.51 0
928     0.53 0
929     0.55 0
930     0.57 0
931     0.59 0
932     0.61 0
933     0.63 0
934     0.65 0
935     0.67 0
936     0.69 0
937     0.71 0
938     0.73 0
939     0.75 0
940     0.77 0
941     0.79 0
942     0.81 0
943     0.83 0
944     0.85 0
945     0.87 0
946     0.89 0
947     0.91 0
948     0.93 0
949     0.95 0
950     0.97 0
951     0.99 0
952     &
953     @target G0.S4
954     @type xy
955     -0.99 3.106876
956     -0.97 2.8681572
957     -0.95 2.6662183
958     -0.93 2.3914123
959     -0.91 2.1515731
960     -0.89 1.9738472
961     -0.87 1.7740828
962     -0.85 1.5767873
963     -0.83 1.4325496
964     -0.81 1.2656402
965     -0.79 1.1148181
966     -0.77 0.98098741
967     -0.75 0.84687857
968     -0.73 0.76063413
969     -0.71 0.68191014
970     -0.69 0.61433332
971     -0.67 0.55026251
972     -0.65 0.49671606
973     -0.63 0.45252482
974     -0.61 0.41157214
975     -0.59 0.36264244
976     -0.57 0.3268585
977     -0.55 0.28755773
978     -0.53 0.24437935
979     -0.51 0.21579954
980     -0.49 0.19402121
981     -0.47 0.16509683
982     -0.45 0.13890699
983     -0.43 0.11915933
984     -0.41 0.10050801
985     -0.39 0.081453218
986     -0.37 0.065988502
987     -0.35 0.054932657
988     -0.33 0.043529912
989     -0.31 0.033340843
990     -0.29 0.025081405
991     -0.27 0.019012631
992     -0.25 0.015040639
993     -0.23 0.0099507716
994     -0.21 0.0075018701
995     -0.19 0.005474048
996     -0.17 0.0037304815
997     -0.15 0.0026560276
998     -0.13 0.0013178152
999     -0.11 0.00085643184
1000     -0.09 0.00049751931
1001     -0.07 0.0001986862
1002     -0.05 9.1773327e-05
1003     -0.03 2.245747e-05
1004     -0.01 2.3513159e-06
1005     0.01 1.6075335e-06
1006     0.03 1.1012789e-05
1007     0.05 2.63923e-05
1008     0.07 4.3499326e-05
1009     0.09 5.6359645e-05
1010     0.11 6.3869341e-05
1011     0.13 6.4877236e-05
1012     0.15 8.0976592e-05
1013     0.17 9.0141795e-05
1014     0.19 1.7322953e-05
1015     0.21 0
1016     0.23 0
1017     0.25 0
1018     0.27 0
1019     0.29 0
1020     0.31 0
1021     0.33 0
1022     0.35 0
1023     0.37 0
1024     0.39 0
1025     0.41 0
1026     0.43 0
1027     0.45 0
1028     0.47 0
1029     0.49 0
1030     0.51 0
1031     0.53 0
1032     0.55 0
1033     0.57 0
1034     0.59 0
1035     0.61 0
1036     0.63 0
1037     0.65 0
1038     0.67 0
1039     0.69 0
1040     0.71 0
1041     0.73 0
1042     0.75 0
1043     0.77 0
1044     0.79 0
1045     0.81 0
1046     0.83 0
1047     0.85 0
1048     0.87 0
1049     0.89 0
1050     0.91 0
1051     0.93 0
1052     0.95 0
1053     0.97 0
1054     0.99 0
1055     &
1056     @target G0.S5
1057     @type xy
1058     -0.99 3.4400907
1059     -0.97 3.1820091
1060     -0.95 2.8588283
1061     -0.93 2.5463051
1062     -0.91 2.2959044
1063     -0.89 2.0775908
1064     -0.87 1.9044819
1065     -0.85 1.6838468
1066     -0.83 1.5124266
1067     -0.81 1.3711035
1068     -0.79 1.1852868
1069     -0.77 1.0869018
1070     -0.75 0.93880675
1071     -0.73 0.83208634
1072     -0.71 0.74794297
1073     -0.69 0.6488543
1074     -0.67 0.59549293
1075     -0.65 0.49615458
1076     -0.63 0.42645517
1077     -0.61 0.37367477
1078     -0.59 0.3173341
1079     -0.57 0.25729172
1080     -0.55 0.21451868
1081     -0.53 0.18250843
1082     -0.51 0.1491463
1083     -0.49 0.12124037
1084     -0.47 0.10547279
1085     -0.45 0.085428086
1086     -0.43 0.074659606
1087     -0.41 0.063080317
1088     -0.39 0.052750994
1089     -0.37 0.046856966
1090     -0.35 0.039060911
1091     -0.33 0.034590033
1092     -0.31 0.029568776
1093     -0.29 0.024059283
1094     -0.27 0.018890323
1095     -0.25 0.014038067
1096     -0.23 0.010026048
1097     -0.21 0.0078567477
1098     -0.19 0.0050768335
1099     -0.17 0.0037776927
1100     -0.15 0.0025625883
1101     -0.13 0.0018188481
1102     -0.11 0.0011926806
1103     -0.09 0.00070608058
1104     -0.07 0.00042332935
1105     -0.05 0.00017832507
1106     -0.03 5.6721638e-05
1107     -0.01 6.1505283e-06
1108     0.01 5.4449964e-06
1109     0.03 4.8663242e-05
1110     0.05 0.00010531532
1111     0.07 0.00017543396
1112     0.09 0.00024290559
1113     0.11 0.00028544666
1114     0.13 0.00019934086
1115     0.15 0.00027622707
1116     0.17 0.00020174775
1117     0.19 0.00018249028
1118     0.21 0.000169853
1119     0.23 0.00011460697
1120     0.25 9.0270223e-05
1121     0.27 3.5097063e-05
1122     0.29 2.0244602e-05
1123     0.31 0
1124     0.33 0
1125     0.35 0
1126     0.37 0
1127     0.39 0
1128     0.41 0
1129     0.43 0
1130     0.45 0
1131     0.47 0
1132     0.49 0
1133     0.51 0
1134     0.53 0
1135     0.55 0
1136     0.57 0
1137     0.59 0
1138     0.61 0
1139     0.63 0
1140     0.65 0
1141     0.67 0
1142     0.69 0
1143     0.71 0
1144     0.73 0
1145     0.75 0
1146     0.77 0
1147     0.79 0
1148     0.81 0
1149     0.83 0
1150     0.85 0
1151     0.87 0
1152     0.89 0
1153     0.91 0
1154     0.93 0
1155     0.95 0
1156     0.97 0
1157     0.99 0
1158     &