*** ***
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 = 2404250427022450548.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 2404250427022450548.atom to be opened.
Openam> File opened: 2404250427022450548.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 = 184
First residue number = 1
Last residue number = 288
Number of atoms found = 192
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.537323 +/- 9.123407 From: 11.460000 To: 53.033000
= 27.848370 +/- 8.629759 From: 6.241000 To: 48.000000
= 97.822687 +/- 9.266593 From: 77.117000 To: 117.891000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.0111 % Filled.
Pdbmat> 16636 non-zero elements.
Pdbmat> 1721 atom-atom interactions.
Pdbmat> Number per atom= 17.93 +/- 6.02
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34420.0
Pdbmat> Larger element = 125.685
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 192 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) = 576
Diagstd> Number of non-zero elements 16636
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34420.0000006
%Diagstd-Wn: Nb on non-zero elements there: 576
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 576 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34420.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5577153 0.7210470 0.8874543 0.9136675
1.0834933 1.5356958 1.5650188 1.8298421 2.0119973
2.2472425 2.3108807 2.4298365 2.8114243 2.9032310
3.1183098 3.2537693 3.5646884 3.6605330 3.8674487
4.1241775 4.2504512 4.4212965 4.7199441 4.7704882
5.0849693 5.1964671 5.5226694 5.5656333 5.9019881
6.1407878 6.3229605 6.6385528 6.6985004 6.8381117
6.9805061 7.2849207 7.5167984 7.6881164 7.9858433
8.0675955 8.1964108 8.2590755 8.3713202 9.0346788
9.3124211 9.4075484 9.6953913 10.0682177 10.3068181
10.5747401 10.8097604 10.9094650 11.1253158 11.2965549
11.4412210 11.5613339 11.7809646 12.0099262 12.1624632
12.5718143 12.8116215 12.9006434 13.3709303 13.5139713
13.6370366 13.9887854 14.3131489 14.4104497 14.7481745
14.7938548 14.9651856 15.1370535 15.2764968 15.3259409
15.9854076 16.1960645 16.4423178 16.5953133 16.8456396
17.3568121 17.4340238 17.5992047 17.8237990 17.8962706
18.0976592 18.2976427 18.3904686 18.7201191 18.7919149
18.8150503 19.1422890 19.3832367 19.7895655 19.9406322
20.0301916 20.2136025 20.7084725 20.9811912 21.1733062
21.2823206 21.5482126 21.7245116 21.7872474 22.1595877
22.3356498 22.6736633 22.8260847 22.9868128 23.2284105
23.4775298 24.0109456 24.1178939 24.3658537 24.5350977
24.6467712 24.9325605 25.1911305 25.4054896 25.4922665
25.4972042 25.7935512 25.9350146 26.3163254 26.5381936
26.6491346 26.7863561 26.9355877 27.1376381 27.4012146
27.4944494 27.5883394 27.8354428 28.0028891 28.1031116
28.2572721 28.4654017 28.5650297 28.6676007 28.8424884
29.1516198 29.1576425 29.2895288 29.5284932 29.6969344
29.9822662 30.2454272 30.4160578 30.7732093 30.9368180
31.1804730 31.2978733 31.5928872 31.6663783 31.9435687
32.1242496 32.1646881 32.3949108 32.6455006 32.7862022
33.1797126 33.2844971 33.4199924 33.6982803 33.7330846
33.9090010 34.1111962 34.3030879 34.6065840 34.7312936
34.9768934 35.0760538 35.1303737 35.2174932 35.3533599
35.5614887 35.7064619 36.0558701 36.0728787 36.0884782
36.1859333 36.4237465 36.5461828 36.8022969 36.9797488
37.0629929 37.3379078 37.4004548 37.6778989 37.8713469
38.1364875 38.3643282 38.5580741 38.7013775 38.8070967
38.8835861 39.1943440 39.3340213 39.5203020 39.6726174
39.8848560 40.0064206 40.0882176 40.3521447 40.5724159
40.7662306 40.9627774 41.1585875 41.3457215 41.5929850
41.6389944 41.7782586 42.0074825 42.1683313 42.3367692
42.5247666 42.8631840 42.9007664 42.9566338 43.2540066
43.2850725 43.4940342 43.7708131 44.0144833 44.1599250
44.2224618 44.4299040 44.5952553 44.7579287 44.8286075
45.0155199 45.3731398 45.4891863 45.7388001 45.9681545
46.0781427 46.1008924 46.4505250 46.7248244 46.9100749
46.9909943 47.3558805 47.6577170 47.7831063 47.8405036
48.0862989 48.1924543 48.3447330 48.3644272 48.3847179
48.6352094 48.8373536 49.0107411 49.2843318 49.3773594
49.4052167 49.6495761 49.8321584 50.0131272 50.3530973
50.5753544 50.7080152 50.9323565 51.0306956 51.0632201
51.1467590 51.2099026 51.4531980 51.5545485 51.7539573
51.9400057 52.1730311 52.3300569 52.4292073 52.5513979
52.8229443 53.0810334 53.2863539 53.4683966 53.6091439
53.7289948 53.8923013 53.9294750 54.1409912 54.3993356
54.5116628 54.7322812 54.8294749 55.1537943 55.2580409
55.3722293 55.4131910 55.5116771 55.9714691 56.0258075
56.1378659 56.2182234 56.3721920 56.7536174 56.9584198
57.0358827 57.2342821 57.5354389 57.8611721 58.1287720
58.2756952 58.6011696 58.7554522 59.0325112 59.2526899
59.5589901 59.7130926 59.9983355 60.2393907 60.4100421
60.5721237 60.8366979 60.8695041 61.1119666 61.3835037
61.5168478 61.8061406 61.9342088 62.1639585 62.3848355
62.5692749 62.7506713 62.8473709 63.0919748 63.3175786
63.3646458 63.9595433 64.1509488 64.3039667 64.6970297
64.7708878 64.8809219 65.0970736 65.2767379 65.7256108
65.8787543 66.0417555 66.4355003 66.6734448 66.6808960
67.0107818 67.3967465 67.5922979 67.6874222 68.0386776
68.1029712 68.2098606 68.4039471 68.8496228 68.9306593
69.3565359 69.4050934 69.6473922 69.9336580 70.1839180
70.2061886 70.4162128 70.5054036 70.5956859 70.8404557
71.1093999 71.2143794 71.4021666 71.7093230 71.8417939
71.9772904 72.1513275 72.4204586 72.7933881 72.9464115
73.2401146 73.4713610 73.6118141 73.8667143 74.1588338
74.5216010 74.7114919 75.0008787 75.0944021 75.3237256
75.7187031 75.9097645 76.0934160 76.3345495 76.7185068
76.9317047 77.0592168 77.1295306 77.2478524 77.7636884
78.0955910 78.4120616 78.7173711 79.2126204 79.3068572
79.5486066 79.6872338 79.7434038 80.0049102 80.5588022
80.7910080 81.0945455 81.3331144 81.5297385 81.7314881
82.0597996 82.1994917 82.5404741 82.8475666 83.0450363
83.3327107 83.4180161 83.4952129 83.8121224 83.9563353
84.3705966 84.7885133 85.0745610 85.3027297 85.6946122
85.8031102 85.9599074 86.4755096 86.9681734 87.2917073
87.4418394 88.1464188 88.3748815 88.5031685 88.7840537
89.0880711 89.1848804 89.4984295 89.8261452 90.0608295
90.3639894 90.5578080 90.6493788 90.8919349 91.4315544
91.5643164 91.6362386 91.6488425 92.2352750 92.3654443
92.8005062 93.1517681 93.2812161 93.6541040 93.6579080
94.4207120 94.5892283 94.6561250 94.6736444 95.1293564
95.4840534 95.7605698 96.2068787 96.2937461 96.5418504
96.8668968 97.0993501 97.1681495 97.4730920 97.9312732
98.2786622 99.0423717 99.7851503 99.9014469 100.1486282
100.6833046 100.9302379 101.7874322 102.0652829 102.3176201
102.5269794 102.5846064 103.2742340 103.3093005 103.4786046
104.2855211 104.5744123 104.9292587 105.4572732 105.7806865
105.8287331 106.3111439 106.9209036 107.0260473 107.4417170
108.1016969 108.5259605 108.8690697 109.0905337 109.5919280
109.6058708 109.9650332 110.5025538 110.9269382 111.5747404
112.2604125 112.5046045 112.7303137 113.1522678 113.5175447
113.7514004 113.9381427 114.1761077 115.2612159 115.9442658
116.2187781 116.3543619 117.2486008 117.7618204 118.3774971
118.6347411 119.2624668 120.0265217 120.2922768 120.6306000
121.9864885 122.1446043 123.3459024 123.5571971 124.0638377
124.3675336 124.9807086 125.7452425 126.4818505 127.1539241
127.4120685 128.1336718 129.1794591 129.3328573 129.9651936
130.6920912 131.1153832 132.0913871 132.6098093 133.5077776
134.2788675 134.7309945 135.2594233 136.4744364 136.6638621
137.4262618 138.8586834 139.7349654 141.7967024 143.4360850
144.7182434 146.1476767 146.3456799 147.7138213 149.3393040
150.7709388 152.4254471 155.0098762 157.8787174 159.7699839
160.8325409 162.0407432 166.6453672 169.9679649 174.9722342
176.2925044
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034157 0.0034254 0.0034297 0.0034377 0.0034475
0.0034503 81.0963982 92.2097986 102.2982670 103.7980894
113.0338154 134.5698863 135.8485677 146.8933337 154.0312968
162.7871978 165.0760400 169.2714859 182.0784218 185.0274138
191.7586274 195.8793507 205.0246431 207.7626331 213.5539270
220.5281105 223.8787105 228.3337444 235.9194297 237.1792505
244.8721795 247.5422709 255.1936150 256.1843373 263.8119377
269.0960505 273.0583830 279.7898699 281.0503138 283.9640595
286.9054079 293.0945169 297.7225516 301.0961873 306.8708753
308.4376167 310.8902766 312.0764509 314.1899277 326.4011191
331.3802215 333.0684612 338.1255202 344.5653311 348.6242439
353.1263545 357.0288522 358.6716140 362.2025081 364.9793469
367.3089132 369.2319312 372.7225824 376.3270614 378.7093691
385.0297252 388.6845964 390.0326509 397.0782448 399.1965477
401.0100749 406.1489022 410.8306868 412.2247341 417.0272302
417.6725709 420.0841870 422.4895319 424.4310691 425.1173727
434.1673264 437.0187079 440.3285033 442.3723845 445.6963038
452.4079844 453.4131349 455.5560316 458.4536323 459.3847237
461.9622445 464.5076296 465.6843872 469.8395628 470.7396701
471.0293528 475.1078590 478.0886458 483.0737176 484.9140209
486.0017485 488.2217694 494.1619628 497.4052347 499.6772994
500.9619844 504.0816708 506.1395689 506.8698545 511.1826656
513.2093691 517.0780795 518.8131708 520.6365581 523.3654229
526.1644245 532.1081517 533.2918792 536.0262966 537.8846814
539.1074051 542.2239804 545.0283708 547.3423653 548.2763407
548.3294365 551.5067721 553.0170592 557.0676054 559.4109455
560.5790136 562.0204251 563.5838091 565.6936493 568.4341838
569.4004336 570.3718195 572.9204803 574.6411207 575.6685239
577.2452888 579.3672453 580.3802436 581.4213217 583.1921154
586.3090876 586.3696501 587.6942926 590.0868316 591.7674725
594.6035646 597.2073464 598.8895603 602.3954400 603.9946632
606.3684967 607.5089692 610.3654454 611.0749462 613.7436295
615.4769257 615.8641904 618.0643222 620.4502250 621.7858527
625.5061584 626.4930824 627.7669589 630.3752443 630.7006923
632.3430912 634.2255806 636.0069898 638.8143256 639.9643182
642.2230619 643.1327775 643.6305729 644.4281457 645.6700287
647.5678022 648.8864261 652.0535598 652.2073385 652.3483446
653.2285674 655.3715547 656.4721275 658.7683754 660.3546774
661.0975135 663.5448300 664.1003699 666.5590331 668.2679851
670.6032062 672.6034323 674.2996701 675.5515451 676.4736064
677.1399483 679.8404169 681.0507175 682.6614948 683.9757551
685.8028637 686.8471944 687.5489986 689.8085793 691.6887543
693.3388864 695.0082787 696.6674366 698.2493947 700.3341833
700.7214253 701.8922501 703.8151449 705.1613294 706.5682797
708.1353085 710.9474397 711.2590503 711.7220170 714.1812618
714.4376856 716.1601084 718.4351751 720.4321483 721.6214663
722.1322457 723.8239811 725.1696296 726.4910530 727.0644404
728.5786080 731.4669310 732.4017349 734.4084479 736.2474680
737.1277532 737.3096984 740.1003226 742.2823251 743.7523371
744.3935431 747.2780711 749.6557858 750.6413252 751.0920265
753.0190376 753.8497625 755.0398318 755.1936067 755.3520058
757.3047401 758.8769145 760.2228428 762.3417712 763.0609180
763.2761365 765.1613993 766.5670177 767.9576757 770.5633965
772.2621465 773.2743169 774.9829808 775.7307808 775.9779479
776.6124348 777.0916727 778.9354449 779.7022263 781.2086832
782.6115929 784.3651960 785.5446657 786.2885039 787.2042258
789.2354473 791.1611713 792.6898232 794.0427061 795.0871162
795.9753855 797.1841310 797.4590232 799.0213455 800.9254209
801.7518948 803.3726729 804.0856725 806.4602715 807.2220603
808.0556752 808.3544997 809.0725267 812.4163093 812.8105702
813.6230237 814.2051384 815.3193350 818.0729905 819.5477202
820.1048191 821.5299487 823.6884865 826.0168253 827.9247288
828.9703779 831.2820872 832.3756494 834.3358586 835.8903580
838.0480945 839.1315739 841.1334054 842.8214221 844.0143870
845.1458836 846.9896371 847.2179760 848.9036680 850.7875329
851.7111191 853.7114242 854.5954517 856.1790784 857.6987900
858.9657380 860.2099631 860.8725052 862.5461498 864.0869165
864.4080166 868.4562749 869.7547760 870.7914621 873.4487976
873.9472199 874.6892447 876.1450527 877.3532753 880.3646503
881.3896968 882.4794174 885.1062045 886.6898303 886.7393753
888.9301217 891.4864494 892.7788345 893.4068290 895.7219405
896.1450496 896.8480357 898.1230892 901.0441325 901.5742442
904.3550688 904.6715890 906.2493541 908.1098849 909.7332847
909.8776104 911.2375591 911.8144740 912.3980774 913.9784449
915.7117501 916.3874381 917.5948668 919.5663943 920.4153741
921.2829355 922.3960686 924.1147786 926.4910901 927.4643954
929.3296379 930.7956022 931.6848650 933.2965726 935.1401982
937.4246486 938.6182297 940.4342900 941.0204515 942.4562014
944.9239653 946.1153798 947.2591756 948.7588801 951.1419816
952.4626590 953.2516716 953.6864768 954.4177057 957.5990485
959.6404334 961.5828666 963.4530836 966.4791079 967.0538319
968.5266350 969.3701803 969.7117658 971.3004756 974.6569420
976.0606255 977.8924707 979.3298267 980.5128844 981.7253003
983.6950962 984.5320223 986.5719417 988.4055121 989.5827585
991.2952723 991.8025230 992.2613345 994.1426355 994.9975628
997.4493240 999.9166278 1001.6018972 1002.9441389 1005.2452718
1005.8814416 1006.8000995 1009.8150645 1012.6875120 1014.5694340
1015.4415327 1019.5243822 1020.8447567 1021.5854288 1023.2052630
1024.9556133 1025.5123561 1027.3134816 1029.1926159 1030.5361992
1032.2692211 1033.3756671 1033.8980027 1035.2803111 1038.3489592
1039.1025462 1039.5105645 1039.5820510 1042.9027288 1043.6383801
1046.0933779 1048.0713073 1048.7992787 1050.8934541 1050.9147961
1055.1857459 1056.1269411 1056.5003397 1056.5981060 1059.1380231
1061.1107244 1062.6460713 1065.1195168 1065.6002687 1066.9721645
1068.7668474 1070.0484491 1070.4274714 1072.1058150 1074.6226269
1076.5269296 1080.7016042 1084.7464519 1085.3783874 1086.7203070
1089.6173529 1090.9527185 1095.5756208 1097.0699064 1098.4252184
1099.5484269 1099.8573934 1103.5481106 1103.7354481 1104.6394827
1108.9380569 1110.4729817 1112.3554386 1115.1506683 1116.8593154
1117.1129306 1119.6561653 1122.8625322 1123.4144960 1125.5939504
1129.0457385 1131.2591357 1133.0459850 1134.1978337 1136.8013061
1136.8736186 1138.7347795 1141.5145142 1143.7044033 1147.0391015
1150.5582138 1151.8088971 1152.9637106 1155.1194899 1156.9824596
1158.1735867 1159.1238669 1160.3336766 1165.8344346 1169.2837592
1170.6671525 1171.3498184 1175.8423949 1178.4130289 1181.4894743
1182.7725141 1185.8975566 1189.6902177 1191.0065578 1192.6802405
1199.3643762 1200.1414177 1206.0287021 1207.0612390 1209.5334571
1211.0129606 1213.9946465 1217.7021184 1221.2635233 1224.5038758
1225.7462222 1229.2123528 1234.2183841 1234.9509726 1237.9662625
1241.4234186 1243.4321853 1248.0515692 1250.4982998 1254.7250355
1258.3432251 1260.4599125 1262.9293201 1268.5889816 1269.4690733
1273.0051095 1279.6223058 1283.6535499 1293.0887873 1300.5423285
1306.3420944 1312.7778432 1313.6668285 1319.7930799 1327.0348911
1333.3805011 1340.6765684 1351.9946247 1364.4482701 1372.5964646
1377.1531565 1382.3161863 1401.8188728 1415.7247268 1436.4147263
1441.8238458
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250427022450548.eigenfacs
Openam> file on opening on unit 10:
2404250427022450548.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250427022450548.atom
Openam> file on opening on unit 11:
2404250427022450548.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 = 184
First residue number = 1
Last residue number = 288
Number of atoms found = 192
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: 9.8938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9505E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9750E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0079E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0096E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.902
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.28
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 576 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 : 0.557700
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= 0.450 for 191 C-alpha atoms.
Bfactors> = 1.626 +/- 2.60
Bfactors> = 21.631 +/- 11.73
Bfactors> Shiftng-fct= 20.004
Bfactors> Scaling-fct= 4.518
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250427022450548 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.7.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 2404250427022450548.7.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 2404250427022450548.7.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 2404250427022450548 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.8.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 2404250427022450548.8.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 2404250427022450548.8.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 2404250427022450548 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.9.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 2404250427022450548.9.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 2404250427022450548.9.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 2404250427022450548 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.10.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 2404250427022450548.10.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 2404250427022450548.10.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 2404250427022450548 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.11.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 2404250427022450548.11.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 2404250427022450548.11.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 2404250427022450548 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.12.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 2404250427022450548.12.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 2404250427022450548.12.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 2404250427022450548 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.13.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 2404250427022450548.13.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 2404250427022450548.13.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 2404250427022450548 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.14.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 2404250427022450548.14.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 2404250427022450548.14.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 2404250427022450548 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.15.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 2404250427022450548.15.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 2404250427022450548.15.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 2404250427022450548 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=-20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=0
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=20
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=40
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=60
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=80
2404250427022450548.eigenfacs
2404250427022450548.atom
calculating perturbed structure for DQ=100
2404250427022450548.eigenfacs
2404250427022450548.atom
making animated gifs
11 models are in 2404250427022450548.16.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 2404250427022450548.16.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 2404250427022450548.16.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
2404250427022450548.10.pdb
2404250427022450548.11.pdb
2404250427022450548.12.pdb
2404250427022450548.13.pdb
2404250427022450548.14.pdb
2404250427022450548.15.pdb
2404250427022450548.16.pdb
2404250427022450548.7.pdb
2404250427022450548.8.pdb
2404250427022450548.9.pdb
STDERR:
real 0m2.856s
user 0m2.848s
sys 0m0.008s
../../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: 2404250427022450548.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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