*** ***
output from eigenvector calculation:
STDOUT:
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2404140228114136286.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404140228114136286.atom to be opened.
Openam> File opened: 2404140228114136286.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 5.875663 +/- 9.055606 From: -14.989000 To: 24.995000
= -10.903020 +/- 7.996262 From: -31.765000 To: 9.305000
= -32.217487 +/- 10.236160 From: -50.397000 To: -10.059000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.7898 % Filled.
Pdbmat> 17475 non-zero elements.
Pdbmat> 1809 atom-atom interactions.
Pdbmat> Number per atom= 18.18 +/- 5.86
Maximum number = 31
Minimum number = 5
Pdbmat> Matrix trace = 36180.0
Pdbmat> Larger element = 135.149
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 597
Diagstd> Number of non-zero elements 17475
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36180.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 36180.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.7644803 0.8466517 0.8993802 0.9341191
1.1585889 1.3535429 1.5486989 1.9120927 2.1177820
2.1372401 2.2497200 2.4038725 2.7004637 2.9620615
3.1530303 3.3075564 3.4185092 3.7786643 3.9313002
3.9627062 4.2272821 4.4389702 4.6906208 4.7276296
5.1712911 5.6183220 5.7851103 5.8656660 6.0990248
6.3966128 6.5529738 6.9525128 7.1595638 7.3292733
7.4721863 7.5298376 7.5631416 8.0970288 8.2683781
8.4333124 8.6202762 8.8577562 9.3407318 9.5377573
9.8336418 10.0484191 10.3195739 10.4309830 10.6169038
10.6855648 11.1843971 11.3670032 11.6107999 11.7546203
12.0841549 12.3633343 12.5658196 12.7722092 12.8993641
13.4338143 13.8799652 14.0756601 14.2224587 14.5159961
14.8378712 15.1157221 15.3268570 15.6058826 15.7067339
15.8082796 15.9856860 16.0869169 16.3053202 16.4052290
16.8064864 16.9966027 17.2718391 17.5235489 17.8127974
17.9508701 18.2578733 18.3762667 18.6561360 18.9335743
19.1441004 19.2549807 19.4116654 19.7933423 19.9847795
20.1250743 20.6218795 20.9631456 21.0107116 21.3849192
21.5385103 21.7324554 21.9150381 22.1519715 22.4370442
22.6316813 22.8807155 23.0475344 23.1433062 23.2285956
23.5709750 23.6764019 23.9712392 24.1595537 24.2691360
24.6430161 24.6977530 24.8637367 25.0190136 25.3393985
25.5149613 25.6325658 25.7147916 26.0504286 26.2019851
26.4088980 26.7273304 26.9256076 27.0554872 27.2330613
27.3395943 27.6620771 27.9310899 28.0447173 28.3597945
28.4146682 28.6277664 28.7881034 28.9789461 29.0986115
29.3608581 29.6507407 29.7029240 29.8848017 30.0503163
30.2252727 30.2493851 30.5279116 30.7001311 30.7749417
30.9212611 31.1599617 31.4660667 31.5693532 31.8262597
31.8897971 32.0693057 32.3084137 32.6584956 32.7363838
32.8934774 33.1717502 33.2512925 33.4514255 33.4905526
33.5777479 33.8514814 33.9943278 34.2015750 34.4483454
34.6388246 34.7420269 34.8492728 35.0424936 35.1383493
35.2963176 35.3374155 35.7621863 35.8761268 36.0609670
36.1417337 36.2532592 36.4768372 36.7665974 36.8847957
36.9184144 37.2172243 37.2642430 37.4454815 37.8243691
37.9834429 38.0789064 38.3121984 38.4355653 38.4680127
38.9094463 39.0599076 39.2466780 39.4320100 39.5260220
39.6494711 39.7903409 39.8325053 40.0367050 40.2283267
40.2976199 40.6029800 40.7836514 40.9746270 41.0558068
41.2124073 41.3194936 41.4511718 41.6243445 41.9270556
42.0980962 42.2701173 42.4524195 42.6744032 42.8879506
42.9779789 43.1428583 43.2198094 43.5119464 43.5316433
43.5973602 43.7520005 44.0893200 44.1804636 44.3175469
44.4400468 44.5104545 44.7526818 44.9841137 45.0645553
45.1751665 45.4723712 45.6316832 45.6789918 45.9861654
46.0823728 46.2634898 46.4337973 46.5270975 46.5319840
46.7441752 46.8776090 46.9107264 47.1928593 47.2643376
47.3889862 47.6929552 47.7504377 48.0274892 48.1061008
48.3895143 48.5006745 48.7700025 48.8276733 48.8936621
49.0666617 49.2939416 49.3947120 49.5248836 49.7586605
49.9699227 50.1093163 50.1624564 50.2025582 50.3911092
50.5631808 51.0556780 51.1547030 51.4613789 51.6387778
51.6889953 51.7616292 51.9821790 52.1590967 52.3128491
52.7013943 52.7254669 52.8342280 52.9363024 53.1094412
53.5229080 53.5666737 53.6574137 53.8063022 53.9533232
54.5331059 54.7235248 54.8687698 55.0693635 55.2219759
55.2498208 55.4391673 55.5215983 55.6633716 55.9464536
56.2454894 56.3497359 56.4314709 56.4569009 56.6494275
56.8458921 57.0459771 57.1055458 57.1569401 57.3790736
57.6025417 57.7626492 57.8580191 58.1969177 58.3363492
58.4148939 58.6019006 58.6783617 58.9615338 59.0702411
59.3320482 59.5491220 59.7280420 59.9397661 60.1696475
60.4146934 60.5907309 60.7505226 61.0298799 61.2112276
61.3221401 61.4157153 61.5997084 61.6574507 61.9316723
62.0736775 62.2460522 62.4427899 62.6434873 62.9808701
63.0644782 63.1264051 63.7034869 63.9021959 64.0989135
64.2813239 64.3579261 64.5048822 64.7665109 64.8990435
65.2228303 65.6593388 65.9578937 66.0359131 66.1976465
66.2648641 66.6251416 66.7513177 66.9882679 67.1941945
67.3237315 67.4059599 67.6461790 67.7393923 68.0751966
68.3511587 68.5180902 68.7502821 68.7905089 68.9498047
69.0174768 69.2616107 69.7695144 69.8682318 70.1628475
70.3193718 70.4805846 70.6639955 70.7838794 70.9725653
71.2529697 71.5951201 71.6963372 71.8313676 71.8574496
72.2860875 72.4712952 72.6709693 72.9991348 73.1063418
73.2829349 73.4605232 73.5976108 73.7522317 73.8821297
74.2284533 74.5445324 74.8447142 74.9028540 75.0702483
75.5388984 75.9996416 76.0803292 76.5087810 76.6088678
76.6468662 76.7258369 77.0265347 77.4196673 77.6973808
77.7774208 77.9790169 78.1708175 78.3901851 78.6760311
79.0428981 79.1731529 79.4206386 79.6629822 79.7349545
80.0239475 80.1698638 80.4156859 80.7793191 81.1653643
81.3509486 81.3813780 81.4737607 81.8098731 81.9677503
82.2518723 82.5326031 82.6897083 82.9266673 83.0706110
83.4738465 83.6292740 84.0920046 84.3587110 84.5364641
84.7407007 84.7898156 85.0308019 85.3060196 85.6592839
86.0134314 86.1859097 86.4877018 86.6644179 86.9670305
87.1503067 87.6111544 87.8102495 87.9979526 88.3996716
88.8645104 89.0533853 89.3374332 89.4934514 89.7078553
89.9606358 89.9963465 90.4584098 90.4954055 91.1768179
91.4704087 91.5632607 91.9776991 92.2018179 92.6047715
92.6854343 92.9002851 93.0024454 93.2805760 93.5542907
93.6421693 94.0951888 94.4889699 94.7751984 94.8988672
95.3105724 95.5918567 96.1787624 96.2459293 96.6147431
97.0347399 97.4596232 97.5498909 97.8859483 97.9380596
98.1280661 98.6120615 99.2846811 99.6915990 99.9541281
100.0716017 100.2070160 100.6460356 100.7793155 101.1632039
101.2095984 101.9055801 102.1907272 102.4027050 102.4203372
102.8776547 103.3209600 103.4894601 103.8590406 104.0164014
104.4799406 104.6805314 104.9301761 105.3277455 105.6662637
105.8842249 106.4293784 106.6275275 107.2482475 107.6895623
108.0648769 108.6915490 109.2730478 109.9029562 110.1261269
110.6287845 110.7553091 111.2723813 111.3839110 112.2594804
112.5008503 112.7118270 113.2274373 113.7849502 114.1683739
114.4024006 114.9410216 115.7265262 116.2939112 116.8747746
116.9085899 116.9968461 117.1568552 117.2591573 118.9366174
119.5801555 119.6797679 119.9841649 120.8837768 121.3846899
121.7580675 121.8596478 122.3965053 122.6381759 123.4767483
123.6103660 123.8398702 124.8047401 125.7318619 126.5549481
126.9054045 127.2065164 127.6710735 128.0988584 129.1005913
130.0388952 130.4217197 132.0734979 133.0218285 133.8535979
134.6745141 135.6715714 135.9147709 137.1720368 137.6546078
138.5372590 139.1490260 139.4451209 140.1092322 141.5274600
142.3474881 142.9380841 143.4775205 147.1794173 148.3264814
148.4121428 149.6120254 149.9966874 150.3975437 151.8332506
153.7334313 155.8664892 159.9436173 162.7528183 168.5913907
170.1824489 187.3270001
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034122 0.0034225 0.0034248 0.0034308 0.0034402
0.0034558 94.9463863 99.9189045 102.9833297 104.9533760
116.8853155 126.3372155 135.1384011 150.1584420 158.0286764
158.7529984 162.8769066 168.3646831 178.4491358 186.8926910
192.8232307 197.4917290 200.7768606 211.0884319 215.3095961
216.1679071 223.2676985 228.7896617 235.1854464 236.1114237
246.9418938 257.3941028 261.1867273 262.9989091 268.1794400
274.6441236 277.9806060 286.3295548 290.5618305 293.9853828
296.8377463 297.9806659 298.6389121 308.9997452 312.2521555
315.3511174 318.8275711 323.1894252 331.8835530 335.3655229
340.5277222 344.2263805 348.8399083 350.7178730 353.8296481
354.9719376 363.1629778 366.1156315 370.0209808 372.3056115
377.4882360 381.8238793 384.9379153 388.0862819 390.0133121
398.0108864 404.5660817 407.4081064 409.5270759 413.7316092
418.2934643 422.1917375 425.1300781 428.9823738 430.3662677
431.7552070 434.1711068 435.5436533 438.4902549 439.8316005
445.1780521 447.6889156 451.2992084 454.5758010 458.3121218
460.0849557 464.0025576 465.5045425 469.0359483 472.5106318
475.1303378 476.5042998 478.4391154 483.1198120 485.4505087
487.1514796 493.1277044 497.1912833 497.7550345 502.1680609
503.9681747 506.2320987 508.3541760 511.0948120 514.3729265
516.5991532 519.4336497 521.3237571 522.4057888 523.3675079
527.2105028 528.3882263 531.6680017 533.7522688 534.9613887
539.0663353 539.6646878 541.4750860 543.1632424 546.6299600
548.5203413 549.7830175 550.6641264 554.2461907 555.8561022
558.0465406 561.4008573 563.4793910 564.8367682 566.6873419
567.7946722 571.1335521 573.9039604 575.0701341 578.2915150
578.8507165 581.0172311 582.6420261 584.5700677 585.7757835
588.4094682 591.3070459 591.8271474 593.6363269 595.2779612
597.0083346 597.2464204 599.9897454 601.6797497 602.4123955
603.8427815 606.1690215 609.1391453 610.1380673 612.6156422
613.2268449 614.9503584 617.2386289 620.5737025 621.3132743
622.8022526 625.4311007 626.1805100 628.0621119 628.4293167
629.2468680 631.8065436 633.1381882 635.0652262 637.3521626
639.1118260 640.0631973 641.0503484 642.8250339 643.7036302
645.1489273 645.5244134 649.3925633 650.4262430 652.0996462
652.8295001 653.8359686 655.8490105 658.4487838 659.5063349
659.8068207 662.4716084 662.8899460 664.5000076 667.8533778
669.2562634 670.0967536 672.1463071 673.2276068 673.5117176
677.3650824 678.6734913 680.2941420 681.8985046 682.7108961
683.7761986 684.9898090 685.3526427 687.1071124 688.7494488
689.3423784 691.9492375 693.4870145 695.1087969 695.7970384
697.1227762 698.0278904 699.1392534 700.5981460 703.1410654
704.5738303 706.0118765 707.5326795 709.3801117 711.1528045
711.8988223 713.2630683 713.8988855 716.3075618 716.4696718
717.0102713 718.2807671 721.0443539 721.7892586 722.9081766
723.9065967 724.4798232 726.4484696 728.3244081 728.9753197
729.8694087 732.2663561 733.5479782 733.9281327 736.3916901
737.1615875 738.6087955 739.9670489 740.7100901 740.7489851
742.4360149 743.4949219 743.7575019 745.9907213 746.5554464
747.5392304 749.9328828 750.3846798 752.5584247 753.1740677
755.3894444 756.2565854 758.3534542 758.8017004 759.3142733
760.6564213 762.4160902 763.1949867 764.1999624 766.0015008
767.6258994 768.6958188 769.1033057 769.4106695 770.8541935
772.1691979 775.9206390 776.6727428 778.9973671 780.3389012
780.7182394 781.2665836 782.9292539 784.2604439 785.4154987
788.3268756 788.5068988 789.3197385 790.0818435 791.3728490
794.4473686 794.7721121 795.4449851 796.5478204 797.6353266
801.9095709 803.3084064 804.3737546 805.8427605 806.9585945
807.1620173 808.5439461 809.1448233 810.1772328 812.2347410
814.4025604 815.1569255 815.7479018 815.9316833 817.3217250
818.7377656 820.1773881 820.6055006 820.9746852 822.5684474
824.1686752 825.3132772 825.9943194 828.4098844 829.4016665
829.9598365 831.2872720 831.8294085 833.8341281 834.6024435
836.4499331 837.9786651 839.2366068 840.7227548 842.3333848
844.0468785 845.2756843 846.3895434 848.3333452 849.5928036
850.3621702 851.0107332 852.2845353 852.6838993 854.5779517
855.5571358 856.7442265 858.0970913 859.4749901 861.7863451
862.3581728 862.7814701 866.7161370 868.0668498 869.4019591
870.6381367 871.1567394 872.1507799 873.9176907 874.8113888
876.9909279 879.9206965 881.9189399 882.4403822 883.5203460
883.9687988 886.3685802 887.2074951 888.7807805 890.1458192
891.0034178 891.5473821 893.1346028 893.7497398 895.9622925
897.7764746 898.8721089 900.3938552 900.6572339 901.6994408
902.1418276 903.7359817 907.0435310 907.6849959 909.5967153
910.6107465 911.6539730 912.8393966 913.6134003 914.8302821
916.6356950 918.8338604 919.4831283 920.3485826 920.5156566
923.2570656 924.4390694 925.7117082 927.7995052 928.4805415
929.6012677 930.7269489 931.5949772 932.5730558 933.3939533
935.5790451 937.5688669 939.4547088 939.8195247 940.8691015
943.8013709 946.6753139 947.1777157 949.8410206 950.4620966
950.6977840 951.1874189 953.0495053 955.4785253 957.1906982
957.6835968 958.9239331 960.1025147 961.4487191 963.2000621
965.4431555 966.2383049 967.7472988 969.2226629 969.6603904
971.4160296 972.3012705 973.7907963 975.9900143 978.3193682
979.4371909 979.6203540 980.1762197 982.1959520 983.1432187
984.8456626 986.5249009 987.4634060 988.8772514 989.7351237
992.1343668 993.0576093 995.8011716 997.3790644 998.4293051
999.6346597 999.9243067 1001.3442716 1002.9634790 1005.0380406
1007.1134990 1008.1227497 1009.8862492 1010.9174480 1012.6808579
1013.7473692 1016.4241653 1017.5784142 1018.6654209 1020.9879259
1023.6687759 1024.7560644 1026.3890629 1027.2849108 1028.5147331
1029.9627981 1030.1672042 1032.8083842 1033.0195613 1036.9014833
1038.5695613 1039.0965558 1041.4455072 1042.7135622 1044.9895861
1045.4446030 1046.6556053 1047.2309386 1048.7956801 1050.3333018
1050.8264926 1053.3652550 1055.5670799 1057.1646474 1057.8541507
1060.1463418 1061.7095623 1064.9638661 1065.3356622 1067.3748904
1069.6923830 1072.0317413 1072.5280871 1074.3739175 1074.6598607
1075.7018121 1078.3513817 1082.0227769 1084.2378426 1085.6645271
1086.3023165 1087.0370461 1089.4156673 1090.1367547 1092.2110546
1092.4614755 1096.2112709 1097.7438811 1098.8818360 1098.9764369
1101.4272268 1103.7977302 1104.6974230 1106.6682070 1107.5062676
1109.9712723 1111.0362774 1112.3603015 1114.4656173 1116.2550992
1117.4057740 1120.2786078 1121.3209845 1124.5800697 1126.8914564
1128.8534425 1132.1218420 1135.1462231 1138.4133172 1139.5685710
1142.1663227 1142.8192757 1145.4838524 1146.0577750 1150.5534369
1151.7896792 1152.8691688 1155.5031112 1158.3443701 1160.2943784
1161.4829772 1164.2139712 1168.1853051 1171.0454981 1173.9664169
1174.1362360 1174.5793396 1175.3822638 1175.8953274 1184.2763912
1187.4759900 1187.9704812 1189.4802810 1193.9311696 1196.4022936
1198.2409390 1198.7406686 1201.3783166 1202.5637863 1206.6682130
1207.3209211 1208.4412025 1213.1397142 1217.6373287 1221.6163745
1223.3066572 1224.7570837 1226.9914470 1229.0453557 1233.8415638
1238.3172302 1240.1386462 1247.9670544 1252.4394447 1256.3490188
1260.1956871 1264.8519886 1265.9851429 1271.8270976 1274.0622766
1278.1404389 1280.9594018 1282.3215529 1285.3714723 1291.8605506
1295.5977474 1298.2826657 1300.7301640 1317.4035210 1322.5272449
1322.9090823 1328.2460449 1329.9524514 1331.7283709 1338.0696657
1346.4165479 1355.7251632 1373.3421114 1385.3500959 1409.9800794
1416.6177027 1486.2623263
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140228114136286.eigenfacs
Openam> file on opening on unit 10:
2404140228114136286.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140228114136286.atom
Openam> file on opening on unit 11:
2404140228114136286.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8735E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9332E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9469E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9817E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0037E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0127E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.63
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.764500
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.520 for 199 C-alpha atoms.
Bfactors> = 1.481 +/- 2.45
Bfactors> = 16.015 +/- 6.67
Bfactors> Shiftng-fct= 14.534
Bfactors> Scaling-fct= 2.718
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140228114136286 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2404140228114136286 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2404140228114136286 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2404140228114136286 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2404140228114136286 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2404140228114136286 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2404140228114136286 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2404140228114136286 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2404140228114136286 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2404140228114136286 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=-20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=0
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=20
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=40
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=60
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=80
2404140228114136286.eigenfacs
2404140228114136286.atom
calculating perturbed structure for DQ=100
2404140228114136286.eigenfacs
2404140228114136286.atom
making animated gifs
11 models are in 2404140228114136286.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404140228114136286.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404140228114136286.10.pdb
2404140228114136286.11.pdb
2404140228114136286.12.pdb
2404140228114136286.13.pdb
2404140228114136286.14.pdb
2404140228114136286.15.pdb
2404140228114136286.16.pdb
2404140228114136286.7.pdb
2404140228114136286.8.pdb
2404140228114136286.9.pdb
STDERR:
real 0m3.125s
user 0m3.109s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404140228114136286.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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