*** ***
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 = 2404232035382116674.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 2404232035382116674.atom to be opened.
Openam> File opened: 2404232035382116674.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.615251 +/- 9.083431 From: 11.460000 To: 53.033000
= 27.826990 +/- 8.647220 From: 6.241000 To: 48.000000
= 97.849717 +/- 9.283209 From: 77.117000 To: 117.891000
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 9.9975 % Filled.
Pdbmat> 16441 non-zero elements.
Pdbmat> 1700 atom-atom interactions.
Pdbmat> Number per atom= 17.80 +/- 5.98
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34000.0
Pdbmat> Larger element = 125.685
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 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) = 573
Diagstd> Number of non-zero elements 16441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5573761 0.7210279 0.8850123 0.9132187
1.0830739 1.5340922 1.5650600 1.8148649 2.0109890
2.2169172 2.2976427 2.4154089 2.7723074 2.8652024
3.1129383 3.2487813 3.5547301 3.6598917 3.8608332
4.1045703 4.2492719 4.3994999 4.6738048 4.7586842
5.0464567 5.1712679 5.4215315 5.4973140 5.8921294
6.1040190 6.2243357 6.5998968 6.6505600 6.6901698
6.9645337 7.0467395 7.3468847 7.6124870 7.8747589
8.0613006 8.1380041 8.1896375 8.3622700 8.9949183
9.2422152 9.3927962 9.6715614 10.0246915 10.2592671
10.5133671 10.7966563 10.8339759 11.0806502 11.2685267
11.4425728 11.4808334 11.7472327 12.0017048 12.1263062
12.5551431 12.7972481 12.9086445 13.2260894 13.4805031
13.6062636 13.8847500 14.2826070 14.3579967 14.7259291
14.7817251 14.9650625 15.0966646 15.2921211 15.3418734
15.7295102 16.0627008 16.4409338 16.5881997 16.8400898
17.1272560 17.3411311 17.5317708 17.7497073 17.8229494
17.9204625 18.0417449 18.3745012 18.6780466 18.7565510
18.8306768 19.0733682 19.3507884 19.7898697 19.8514752
19.9764681 20.1558920 20.6061340 20.9894904 21.1412843
21.2567980 21.5470250 21.6768976 21.8540232 22.1080709
22.2769662 22.5943715 22.7909983 22.9299663 23.1313123
23.4809533 23.8677781 24.0021673 24.1426587 24.4550734
24.5944359 24.7918099 24.9693230 25.1851064 25.3414441
25.4994099 25.6711705 25.7677137 25.9282788 26.3216341
26.5075332 26.6462133 26.7886779 26.9392077 27.1312668
27.3838540 27.5734071 27.6880071 27.9202789 27.9684202
28.1403202 28.3609101 28.5438736 28.6429176 28.8252051
28.9532458 29.1445826 29.3117720 29.4672134 29.6452280
30.0198271 30.1715239 30.4065823 30.4727137 30.9036418
31.1214384 31.4105484 31.5170873 31.6122020 31.8894853
31.9352382 32.1346067 32.3712785 32.4134832 32.7435243
33.0583705 33.2271483 33.3529540 33.7122471 33.7331992
33.7990304 33.9753400 34.2104159 34.5048275 34.6561111
34.9355696 35.0052100 35.1275235 35.1675579 35.2210688
35.5088302 35.5804506 35.8679602 36.0472671 36.0699710
36.1458964 36.2945671 36.5034637 36.7322720 36.9704861
37.0706154 37.2006038 37.3681177 37.5964632 37.7235286
38.0517621 38.3057026 38.4813976 38.5634706 38.7467423
38.8266491 39.0913631 39.1777841 39.4363295 39.7675227
39.8988765 39.9877369 40.1536925 40.2682653 40.4439395
40.6898516 40.7662936 40.9869517 41.2090003 41.3453547
41.5386626 41.7009313 41.8663647 42.1248373 42.2678787
42.4071846 42.6529077 42.8239806 42.9725007 43.1454169
43.2426367 43.3444851 43.7254977 43.8834665 44.0803994
44.2805138 44.3524260 44.3985399 44.7092975 44.7189743
45.2009807 45.2899671 45.5015101 45.6960772 45.7069878
45.8989061 46.0805105 46.3399993 46.5709528 46.6553959
46.8753919 47.1927849 47.2765311 47.3971585 47.6801575
47.8224492 48.0107308 48.2108706 48.3352053 48.5627875
48.7914501 48.8136456 48.9043563 49.0470988 49.1033548
49.2390586 49.3229210 49.5829391 49.7526603 50.0212977
50.2053798 50.3365781 50.6927522 50.7892483 50.9302983
50.9443352 51.0715255 51.0968966 51.4575135 51.5849822
51.7887487 51.9268246 51.9671828 52.2279995 52.3435675
52.5468369 52.8102758 53.1250302 53.4086608 53.5093364
53.5970475 53.7183531 54.0393037 54.1285375 54.2997244
54.5303944 54.7428687 54.8848599 55.0151671 55.1560609
55.4127199 55.4640458 55.6353539 55.7734670 55.9195266
56.0774410 56.1818923 56.3256187 56.4925950 56.7955935
57.0210866 57.1608175 57.3721465 57.9104678 58.0173931
58.3482575 58.6428881 58.8261760 58.9891153 59.4444793
59.5003265 59.8988945 60.1411969 60.1812947 60.4166647
60.4608996 60.5783973 60.6086890 60.8089602 61.1744257
61.3687497 61.6578117 61.8842934 62.0134914 62.2484622
62.5245773 62.7171846 62.8745443 62.9496854 63.1957624
63.8863492 64.0008952 64.2475995 64.2990216 64.5679222
64.8275044 65.0542236 65.3152538 65.4449181 65.6718744
65.8217106 66.2293414 66.5052960 66.5869822 66.6211932
66.6776752 67.2285565 67.4620955 67.5742846 67.9704954
68.2073484 68.2984254 68.3975857 68.7984153 68.9842231
69.2019745 69.4973262 69.5835045 69.8948799 70.1111306
70.1819471 70.4460784 70.5434468 70.6500383 71.0815707
71.1208554 71.2063138 71.5659847 71.7533380 71.9533571
72.0461368 72.4406133 72.5083001 72.6659475 72.8996795
73.2505290 73.5607786 73.9349431 74.1440323 74.3765150
74.6746573 74.8621363 74.9001633 75.2318671 75.3779580
75.6256205 75.9539362 76.3586628 76.5432249 76.6221108
76.9160708 77.1002488 77.3061232 77.6312494 77.9447777
78.1806435 78.3879428 78.8257556 79.2189736 79.4391584
79.5327396 79.7382095 80.2708730 80.3975869 80.4814377
80.7700268 81.0734289 81.2693165 81.4736648 81.7913775
82.0248936 82.0599893 82.1893275 82.4993529 83.0176977
83.1948197 83.2874279 83.4391804 83.7484501 83.9339080
84.3412821 84.8307964 85.2313123 85.4039083 85.4602488
85.7719100 86.1173255 86.5329391 86.9270585 87.1916688
87.5961782 87.8504488 88.0841729 88.4214246 88.6867172
88.8784207 89.1389004 89.5065712 89.6645948 89.7726664
90.2050288 90.4640771 90.6458220 90.7725336 90.9897267
91.1415808 91.5266780 91.6469959 91.9283636 92.0857131
92.4910757 92.7644849 93.2342765 93.2767868 93.5244224
93.9693073 94.2412281 94.5470457 95.1128267 95.5876458
95.7814999 95.8690125 96.1642300 96.5276017 96.7290800
96.9237212 97.0855117 97.4944684 97.8591227 98.2494331
98.5135485 99.4203247 99.6290706 100.1482726 100.5897889
100.7980771 101.3616959 101.8731532 101.9289582 102.5272283
102.9904503 103.1068369 103.1765058 103.2813921 103.8962847
104.3799302 104.7762022 105.0959293 105.4530467 105.5985486
106.1222806 106.6001486 106.9158730 107.3168521 107.9033396
108.1561385 108.5914853 108.9505664 109.3180211 109.6035715
109.6766904 110.7752688 111.0798786 111.4347248 111.8084417
112.3975135 112.5150793 112.9310962 113.7013331 113.7520134
114.7228504 115.4013829 115.6458852 115.9311042 116.5705213
117.4068014 117.7468615 118.0225533 118.6388711 119.1944571
119.8079257 120.0057501 120.7493137 121.4324326 121.6194793
121.8621512 123.0708952 123.2213835 123.6571120 123.8039258
125.2988599 126.3807926 126.8338375 127.2372531 128.0459419
128.5850785 128.7185694 129.5767030 130.6975832 131.1142782
131.7096295 132.1905858 133.1579745 133.4870050 134.1037861
135.1997145 136.4315604 136.6633213 137.0323731 138.0624068
140.8213431 141.2056007 142.9283366 144.4046863 145.8084675
147.1191433 148.7365436 149.8146362 150.4992534 153.9220831
156.5671150 158.5239715 160.5384501 160.9318321 165.6139746
168.9006222 172.9432517 175.1553964
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034196 0.0034237 0.0034256 0.0034316 0.0034336
0.0034489 81.0717317 92.2085782 102.1574250 103.7725966
113.0119363 134.4996071 135.8503562 146.2909416 153.9926991
161.6851057 164.6025371 168.7681973 180.8073038 183.8116072
191.5933956 195.7291547 204.7380644 207.7444330 213.3712013
220.0032665 223.8476495 227.7702167 234.7634935 236.8856332
243.9431108 246.9413397 252.8461086 254.6071258 263.5915092
268.2892175 270.9204475 278.9740784 280.0427852 280.8754958
286.5769801 288.2633227 294.3383773 299.6115585 304.7290889
308.3172600 309.7806105 310.7617945 314.0200458 325.6821009
330.1287276 332.8072129 337.7097328 343.8197252 347.8191178
352.1001372 356.8123829 357.4285283 361.4746981 364.5262849
367.3306115 367.9442219 372.1885999 376.1982330 378.1460305
384.7743505 388.4665017 390.1535840 394.9217082 398.7019239
400.5573639 404.6358074 410.3921294 411.4738159 416.7126002
417.5013082 420.0824598 421.9255094 424.6480609 425.3382865
430.6781907 435.2157120 440.3099706 442.2775633 445.6228811
449.4063189 452.2035741 454.6824296 457.4997684 458.4427065
459.6951133 461.2480560 465.4821805 469.3112962 470.2965272
471.2249154 474.2517876 477.6883091 483.0774302 483.8287523
485.3495524 487.5243266 492.9394093 497.5036004 499.2993069
500.6615084 504.0677797 505.5846071 507.6460138 510.5881188
512.5347353 516.1731535 518.4142785 519.9923905 522.2704042
526.2027859 530.5194074 532.0108749 533.5656069 537.0067759
538.5347262 540.6913194 542.6235815 544.9631981 546.6520237
548.3531534 550.1968705 551.2304802 552.9452403 557.1237902
559.0876996 560.5482878 562.0447821 563.6216793 565.6272403
568.2540843 570.2174410 571.4011755 573.7928816 574.2873480
576.0494918 578.3028891 580.1652800 581.1709628 583.0173562
584.3107933 586.2383159 587.9174050 589.4742177 591.2520742
594.9758988 596.4772768 598.7962676 599.4470761 603.6707191
605.7941999 608.6015301 609.6327891 610.5519952 613.2238469
613.6635956 615.5761354 617.8388398 618.2414683 621.3810312
624.3613368 625.9531298 627.1370125 630.5058655 630.7017644
631.3168798 632.9613416 635.1473017 637.8744554 639.2712802
641.8435693 642.4829747 643.6044622 643.9711123 644.4608585
647.0881744 647.7404251 650.3522096 651.9757645 652.1810516
652.8670945 654.2083613 656.0883371 658.1413477 660.2719693
661.1654912 662.3236683 663.8132108 665.8383049 666.9625284
669.8578739 672.0893239 673.6288810 674.3468553 675.9473622
676.6440011 678.9467090 679.6967833 681.9358520 684.7933733
685.9233912 686.6867905 688.1102460 689.0912589 690.5927369
692.6890677 693.3394219 695.2133295 697.0939599 698.2462970
699.8766994 701.2423836 702.6319702 704.7975705 705.9931811
707.1556260 709.2014285 710.6222431 711.8534492 713.2842181
714.0873900 714.9278320 718.0631851 719.3591030 720.9714058
722.6060714 723.1925942 723.5684538 726.0962662 726.1748387
730.0779114 730.7962037 732.5009383 734.0653758 734.1530052
735.6927022 737.1466925 739.2192904 741.0590954 741.7306405
743.4773392 745.9901331 746.6517399 747.6036851 749.8322599
750.9502867 752.4271166 753.9937870 754.9654274 756.7406849
758.5201863 758.6926947 759.3973089 760.5047696 760.9407860
761.9915421 762.6401657 764.6477473 765.9553153 768.0204029
769.4322913 770.4369876 773.1579318 773.8934533 774.9673226
775.0741096 776.0410512 776.2337871 778.9681099 779.9323288
781.4712210 782.5122829 782.8163125 784.7782820 785.6460653
787.1700641 789.1408007 791.4889846 793.5990231 794.3466400
794.9974094 795.8965553 798.2706326 798.9294435 800.1917930
801.8896347 803.4503720 804.4916859 805.4461284 806.4768429
808.3510637 808.7253436 809.9733085 810.9780528 812.0392538
813.1850274 813.9420054 814.9824666 816.1895734 818.3754663
819.9984374 821.0025310 822.5187934 826.3686192 827.1311666
829.4863158 831.5779321 832.8764629 834.0291345 837.2420722
837.6352682 840.4360711 842.1342175 842.4149077 844.0606493
844.3695876 845.1896495 845.4009376 846.7965284 849.3373656
850.6852799 852.6863950 854.2510052 855.1422648 856.7608120
858.6588735 859.9804087 861.0585939 861.5729637 863.2553110
867.9592099 868.7369718 870.4097219 870.7579784 872.5768479
874.3290977 875.8566454 877.6120741 878.4827630 880.0046894
881.0080213 883.7318315 885.5710191 886.1147112 886.3423150
886.7179598 890.3733929 891.9185447 892.6598644 895.2730225
896.8315201 897.4300877 898.0813265 900.7089903 901.9244683
903.3468267 905.2725011 905.8336066 907.8580770 909.2614223
909.7205114 911.4307804 912.0604385 912.7492423 915.5325476
915.7855063 916.3355425 918.6468831 919.8485648 921.1297541
921.7234346 924.2433607 924.6750555 925.6797230 927.1672649
929.3957086 931.3618381 933.7275041 935.0468705 936.5116686
938.3868202 939.5640440 939.8026439 941.8813559 942.7954208
944.3429788 946.3906110 948.9087198 950.0548038 950.5442435
952.3658752 953.5054285 954.7776130 956.7832598 958.7133871
960.1628544 961.4349685 964.1161358 966.5178648 967.8601245
968.4300376 969.6801825 972.9135983 973.6812057 974.1888248
975.9338770 977.7651436 978.9456569 980.1756430 982.0849181
983.4858550 983.6962331 984.4711501 986.3261586 989.4198587
990.4747822 991.0259019 991.9283318 993.7649372 994.8646565
997.2760275 1000.1659203 1002.5242071 1003.5387644 1003.8697245
1005.6985430 1007.7215529 1010.1503244 1012.4481057 1013.9879062
1016.3372880 1017.8113103 1019.1643424 1021.1135377 1022.6442248
1023.7488921 1025.2479662 1027.3602079 1028.2667090 1028.8862010
1031.3608814 1032.8407365 1033.8777192 1034.6000832 1035.8370968
1036.7010986 1038.8889575 1039.5715774 1041.1661620 1042.0568384
1044.3478945 1045.8903333 1048.5353644 1048.7743778 1050.1656231
1052.6604178 1054.1823699 1055.8914220 1059.0460009 1061.6861774
1062.7621950 1063.2475908 1064.8834061 1066.8934240 1068.0062861
1069.0802834 1069.9721957 1072.2233680 1074.2266920 1076.3668324
1077.8126132 1082.7616588 1083.8977622 1086.7183781 1089.1112112
1090.2382225 1093.2820418 1096.0368468 1096.3370046 1099.5497617
1102.0308668 1102.6533777 1103.0258441 1103.5863541 1106.8666160
1109.4399012 1111.5438664 1113.2385261 1115.1283221 1115.8973720
1118.6611805 1121.1770138 1122.8361168 1124.9396978 1128.0094123
1129.3300047 1131.6005943 1133.4699907 1135.3797943 1136.8616941
1137.2408433 1142.9222474 1144.4925723 1146.3191631 1148.2397508
1151.2605742 1151.8625158 1153.9900180 1157.9186758 1158.1767074
1163.1085407 1166.5430936 1167.7782244 1169.2173912 1172.4373621
1176.6353947 1178.3381815 1179.7168520 1182.7931020 1185.5593781
1188.6063738 1189.5872703 1193.2669603 1196.6375530 1197.5588101
1198.7529819 1204.6834945 1205.4197995 1207.5491871 1208.2658153
1215.5388388 1220.7755364 1222.9616728 1224.9050429 1228.7914753
1231.3756672 1232.0146793 1236.1146196 1241.4495024 1243.4269456
1246.2467659 1248.5201155 1253.0802078 1254.6274199 1257.5226033
1262.6505365 1268.3896906 1269.4665617 1271.1794683 1275.9480730
1288.6338086 1290.3907514 1298.2383974 1304.9261193 1311.2534777
1317.1337371 1324.3541072 1329.1451236 1332.1786004 1347.2424127
1358.7687649 1367.2336934 1375.8934815 1377.5781889 1397.4741083
1411.2725847 1428.0620903 1437.1663543
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404232035382116674.eigenfacs
Openam> file on opening on unit 10:
2404232035382116674.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404232035382116674.atom
Openam> file on opening on unit 11:
2404232035382116674.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
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: 9.9165E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9404E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9513E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9864E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0087E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5574
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: 0.8850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9132
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: 1.534
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: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.415
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.399
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
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: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
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: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
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: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
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: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 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 : 0.557400
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= 0.453 for 191 C-alpha atoms.
Bfactors> = 1.635 +/- 2.60
Bfactors> = 21.483 +/- 11.91
Bfactors> Shiftng-fct= 19.848
Bfactors> Scaling-fct= 4.583
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404232035382116674 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=0
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=100
2404232035382116674.eigenfacs
2404232035382116674.atom
making animated gifs
11 models are in 2404232035382116674.7.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 2404232035382116674.7.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 2404232035382116674.7.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 2404232035382116674 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=0
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=100
2404232035382116674.eigenfacs
2404232035382116674.atom
making animated gifs
11 models are in 2404232035382116674.8.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 2404232035382116674.8.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 2404232035382116674.8.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 2404232035382116674 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=0
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=100
2404232035382116674.eigenfacs
2404232035382116674.atom
making animated gifs
11 models are in 2404232035382116674.9.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 2404232035382116674.9.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 2404232035382116674.9.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 2404232035382116674 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=0
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=100
2404232035382116674.eigenfacs
2404232035382116674.atom
making animated gifs
11 models are in 2404232035382116674.10.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 2404232035382116674.10.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 2404232035382116674.10.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 2404232035382116674 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=-20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=0
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=20
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=40
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=60
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=80
2404232035382116674.eigenfacs
2404232035382116674.atom
calculating perturbed structure for DQ=100
2404232035382116674.eigenfacs
2404232035382116674.atom
making animated gifs
11 models are in 2404232035382116674.11.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 2404232035382116674.11.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 2404232035382116674.11.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
2404232035382116674.10.pdb
2404232035382116674.11.pdb
2404232035382116674.7.pdb
2404232035382116674.8.pdb
2404232035382116674.9.pdb
STDERR:
real 0m2.717s
user 0m2.705s
sys 0m0.012s
../../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: 2404232035382116674.Chkmod.res: No such file or directory
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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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