*** ***
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 = 2404260132522799985.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 2404260132522799985.atom to be opened.
Openam> File opened: 2404260132522799985.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 = 197
First residue number = 95
Last residue number = 301
Number of atoms found = 214
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 28.757019 +/- 9.311784 From: 9.442000 To: 52.003000
= 2.284154 +/- 8.315932 From: -18.215000 To: 23.114000
= 9.754832 +/- 10.083321 From: -8.568000 To: 31.800000
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 9.4684 % Filled.
Pdbmat> 19543 non-zero elements.
Pdbmat> 2031 atom-atom interactions.
Pdbmat> Number per atom= 18.98 +/- 6.10
Maximum number = 33
Minimum number = 5
Pdbmat> Matrix trace = 40620.0
Pdbmat> Larger element = 130.356
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 214 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) = 642
Diagstd> Number of non-zero elements 19543
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 40620.0000006
%Diagstd-Wn: Nb on non-zero elements there: 642
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 642 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 40620.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4624392 0.8502659 0.8630009 0.9188066
1.0542682 1.3230908 1.5027004 1.8629020 2.0864104
2.0938328 2.2141188 2.5120340 2.7016910 2.7564183
3.1636196 3.3972617 3.6586128 3.8397634 4.0736741
4.2902469 4.4509699 4.5136689 4.6799299 5.1040855
5.1999825 5.4181945 5.7819605 5.9637524 6.1589852
6.4760365 6.5536313 6.9323620 7.1237710 7.2429824
7.4708176 7.6632724 7.8588557 8.1118522 8.3411735
8.5326907 8.7627555 9.0246014 9.1575628 9.4945446
9.7305930 9.9050953 10.1514758 10.4553230 10.6216528
10.9729274 11.2633591 11.4101414 11.6943795 11.8392381
11.9828803 12.1252968 12.5084733 12.6709231 12.9751644
13.2174743 13.4659987 13.6422646 13.8531415 14.0561596
14.2059095 14.6404773 14.7818322 14.9189209 14.9541561
15.3060946 15.5091901 15.6158997 15.6401600 15.9112648
16.1251302 16.5263565 16.7018441 17.0072375 17.1841412
17.3408568 17.4359667 17.7115753 17.7622075 17.8293429
18.2650128 18.3786730 18.4953212 18.8865006 18.9875323
19.3781721 19.5571627 19.6061929 19.8066820 19.9679589
20.2210830 20.4676390 20.5771739 20.9745024 21.1311244
21.2794132 21.5515062 21.6890226 21.8700096 22.0705650
22.3168731 22.4223605 22.5909545 22.8529202 23.0771906
23.1734113 23.4083662 23.7675725 23.9376968 24.2481727
24.3411936 24.4810551 24.7495167 25.1817947 25.4625236
25.8814872 25.9646325 26.1393278 26.4096389 26.5129277
26.7081507 27.1370023 27.2338353 27.3573267 27.5493582
27.6189405 27.6430534 27.8240299 27.9678780 28.1327463
28.2959779 28.5699679 28.7678534 28.8535194 29.0147062
29.1704506 29.2382617 29.3831479 29.4796185 29.5510353
29.7246153 29.8558360 30.0752908 30.3655516 30.5993698
30.7515725 31.0169492 31.2114780 31.3307267 31.5640789
31.7393758 31.8756685 32.0044136 32.2495156 32.3217461
32.4364095 32.5164770 32.6579122 32.9304544 33.2339355
33.3025361 33.5212151 33.6061428 33.8393056 34.0267849
34.1943506 34.3875189 34.6754304 34.8027432 34.9767468
35.2843507 35.4755937 35.7598043 35.9322088 36.0406635
36.1385341 36.4767205 36.7595980 36.8521198 37.0434093
37.0711264 37.1279460 37.3557598 37.5478462 37.6308892
37.8213040 38.0113333 38.2228661 38.3671062 38.6234861
38.7339506 38.8657739 38.9469257 39.0481692 39.0828450
39.3034090 39.3839540 39.8338882 40.0583983 40.1255782
40.3055436 40.5066872 40.6685972 40.7843304 40.8337720
41.0399207 41.0597245 41.1997847 41.2312795 41.5653290
41.7799072 41.8068066 41.9075307 42.3651350 42.4037119
42.6026457 42.7436508 42.8822859 43.0790821 43.3561790
43.5294938 43.6085898 43.6997977 43.9847468 44.0711642
44.3591998 44.3918343 44.4717507 44.6804778 44.8488294
45.0672395 45.2100028 45.3290885 45.6159419 45.6945533
45.9727262 46.0654694 46.1192573 46.2923246 46.5509353
46.5877822 46.9510767 47.0762248 47.3121331 47.5259968
47.6332865 47.8526816 47.9859159 48.1427662 48.1547891
48.2773612 48.4584053 48.5853686 48.8876687 49.0391991
49.3201940 49.4610598 49.6507689 49.9099776 49.9223784
50.1170181 50.2669331 50.5111954 50.7409795 50.7532760
50.9252344 51.0823939 51.3644591 51.3899905 51.4677146
51.6478416 51.7167566 51.8757408 52.1663738 52.2274822
52.2740605 52.4133273 52.7164910 52.8996643 53.1678884
53.2019753 53.2471588 53.4911444 53.6405906 53.6597073
54.0665342 54.3482582 54.4428462 54.4889826 54.6210777
54.8578718 54.9052470 55.1400931 55.2944495 55.4587592
55.6982996 55.7943002 56.0261709 56.3439733 56.4365727
56.6859403 56.8203773 57.0526312 57.0962833 57.3230198
57.4192099 57.5781683 57.8645411 57.9988027 58.0001764
58.3112326 58.4148291 58.5812540 58.7496759 58.8740882
59.0572832 59.3805896 59.4796753 59.5980047 59.6476024
59.8000379 59.8733940 60.0770369 60.1721890 60.4919024
60.5885830 60.8194828 61.2689013 61.4347787 61.5375352
61.8764146 62.0899681 62.1185593 62.1334712 62.2483987
62.3802788 62.7413266 62.8967431 63.1814560 63.5151852
63.6602530 63.7206751 63.7749523 63.9028668 64.1100658
64.3225752 64.4894057 64.6576663 64.7458879 65.2715679
65.3354739 66.0327787 66.2261460 66.4546096 66.5755218
66.7098547 66.7647726 67.0713029 67.2140396 67.4891450
67.4992083 67.5955152 67.8054436 67.8373026 68.0550458
68.2870574 68.6936942 68.8130195 69.0229437 69.1691327
69.3775155 69.4636639 69.5961607 69.6761550 69.8702137
70.1137931 70.3917093 70.4858055 70.5419853 70.9172904
71.0856676 71.2059330 71.3579685 71.5032799 71.6260959
71.7256970 72.0900634 72.1449839 72.3122934 72.6042874
72.8130166 72.9916354 73.1222063 73.3503794 73.4342904
73.7324932 74.0875879 74.1972000 74.2896398 74.5094848
74.6954349 74.9354326 75.2343540 75.3953525 75.6749758
75.7548529 76.1081562 76.2370856 76.4932001 76.6043499
76.7404894 76.9542342 77.1142969 77.3900941 77.5813383
77.7923043 78.0468754 78.2234737 78.3413273 78.5863593
78.8203311 78.9747540 79.1192991 79.5846562 79.8657288
80.0228447 80.3223167 80.4106370 80.5048737 80.8083513
81.1875832 81.2728617 81.5577087 81.6519186 81.9128037
81.9720195 82.2435901 82.4827131 82.5723127 83.0590590
83.2857155 83.5730827 83.6448932 83.7504532 83.9704422
84.1396355 84.4802795 84.6703131 84.7192808 85.0652545
85.3147901 85.4640611 85.7690051 86.0320622 86.3134576
86.5527847 86.8577280 86.9701518 87.0552585 87.2920487
87.3642771 87.5666418 87.7694291 88.2908148 88.4527561
88.8076705 89.0389271 89.2405191 89.5526546 90.0991640
90.2301958 90.5770024 90.9614971 91.1105683 91.1983765
91.6363359 92.0432366 92.0873349 92.3955721 92.5384666
92.7140263 93.1455821 93.4237031 93.5310987 94.0004439
94.4712004 94.8075392 94.9065050 94.9967058 95.0686117
95.4949747 95.5712940 96.2484172 96.4103207 96.4394095
96.6464856 97.0815727 97.1568494 97.5894305 97.8032955
98.0328672 98.2772596 98.4091564 98.7749242 98.8822736
99.3854699 99.6645050 99.8099896 100.1527983 100.4318162
100.5568590 100.9478777 101.3876847 101.8084283 101.9970397
102.5550646 102.7183646 103.2023513 103.3919023 104.1858944
104.2575929 104.5255550 104.5918183 105.1803174 105.8599795
105.9202782 106.2897381 106.4163051 106.9409298 107.1279130
107.5774652 107.7704763 108.0431946 108.6293370 108.6715278
108.7902854 108.9653947 109.4883121 109.8158011 110.3178834
110.6806775 111.0754107 111.4052060 111.5492484 112.2565397
112.2910348 112.5715963 112.8899353 113.1960885 113.8300458
114.2351388 114.6786795 114.8597539 114.9757817 115.3659201
115.5618389 115.6547676 116.2491593 116.5123381 116.8515062
117.1349368 117.3525781 118.0575673 118.5877735 118.8685358
119.1472416 119.3540099 119.8462394 120.1060951 120.3161732
121.0706681 121.2283888 121.7290246 122.9614026 123.4568173
123.7832184 124.1681792 124.4953963 124.7763388 124.9603742
125.2150364 126.0769634 126.8831589 127.4795069 127.9342374
128.1697204 128.3370034 128.4888103 128.6244160 129.4223060
129.6241901 130.0612002 130.8605681 131.6456828 131.9449067
131.9872962 132.3438917 133.3397558 133.9593849 134.5204258
135.2746080 135.8032330 136.7654204 137.0765916 139.4963761
139.8795559 141.2812700 141.6614586 142.5146233 143.3333335
144.8491775 145.5374923 147.2864167 148.1404366 149.4857743
150.4639674 151.3763779 151.7808421 152.3349390 155.5540624
155.9188283 156.2199250 158.8360762 159.8186894 162.0055916
162.8482290 167.0003989 169.7800272 171.6564895 175.9501077
181.6075093 186.0532984
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034301 0.0034335 0.0034358 0.0034425 0.0034448
0.0034729 73.8452537 100.1319461 100.8790292 104.0896003
111.4989633 124.9079557 133.1163766 148.2143614 156.8538398
157.1325928 161.5830270 172.1107643 178.4896834 180.2884233
193.1467511 200.1519289 207.7081348 212.7881858 219.1736914
224.9243242 229.0986929 230.7066594 234.9172750 245.3320288
247.6259876 252.7682821 261.1156123 265.1887420 269.4944713
276.3439270 277.9945503 285.9143120 289.8346180 292.2496474
296.8105588 300.6092995 304.4212314 309.2824628 313.6236880
317.2037282 321.4516257 326.2190312 328.6133720 334.6049414
338.7387925 341.7626578 345.9870730 351.1268239 353.9087753
359.7133305 364.4426918 366.8096847 371.3503787 373.6432650
375.9030856 378.1302909 384.0585463 386.5444194 391.1575482
394.7930667 398.4873731 401.0869341 404.1749703 407.1257960
409.2887444 415.5017887 417.5028208 419.4343411 419.9293556
424.8420320 427.6513430 429.1200291 429.4532324 433.1592884
436.0606480 441.4523553 443.7899802 447.8289539 450.1520133
452.1999976 453.4384002 457.0080770 457.6608365 458.5249262
464.0932701 465.5350192 467.0100426 471.9228743 473.1834459
478.0261826 480.2288029 480.8303979 483.2825845 485.2461707
488.3121001 491.2800797 492.5928954 497.3259416 499.1793188
500.9277653 504.1201931 505.7259869 507.8316528 510.1548340
512.9936058 514.2045862 516.1341207 519.1180530 521.6590526
522.7454542 525.3888260 529.4045796 531.2958960 534.7302933
535.7549792 537.2919649 540.2299300 544.9273676 547.9563984
552.4460776 553.3327438 555.1910904 558.0543682 559.1445856
561.1993887 565.6870234 566.6953955 567.9787778 569.9687217
570.6880613 570.9371292 572.8030158 574.2817807 575.9719648
577.6404984 580.4304077 582.4370708 583.3036277 584.9306364
586.4984238 587.1797300 588.6327764 589.5982824 590.3120261
592.0432062 593.3485674 595.5252742 598.3921221 600.6915478
602.1836291 604.7763782 606.6699001 607.8277370 610.0870976
611.7788670 613.0909864 614.3278684 616.6757610 617.3659703
618.4600731 619.2229205 620.5681595 623.1522139 626.0170567
626.6628275 628.7169324 629.5128711 631.6929085 633.4403700
634.9981510 636.7892180 639.4494386 640.6222508 642.2217167
645.0395526 646.7852642 649.3709359 650.9344216 651.9160437
652.8006021 655.8479617 658.3861050 659.2141449 660.9228321
661.1700480 661.6765483 663.7034378 665.4076594 666.1430795
667.8263177 669.5019277 671.3622300 672.6277840 674.8713870
675.8357758 676.9848348 677.6912387 678.5715048 678.8727330
680.7856465 681.4828615 685.3645395 687.2932373 687.8693078
689.4101480 691.1282471 692.5081297 693.4927868 693.9130100
695.6624098 695.8302353 697.0160097 697.2823724 700.1013117
701.9060988 702.1320179 702.9773239 706.8049421 707.1266707
708.7834450 709.9554331 711.1058381 712.7356807 715.0242654
716.4519823 717.1026078 717.8521305 720.1887428 720.8958769
723.2478175 723.5138105 724.1647708 725.8622062 727.2284093
728.9970297 730.1507693 731.1117661 733.4214435 734.0531360
736.2840788 737.0263770 737.4565421 738.8389379 740.8998145
741.1929820 744.0773047 745.0683139 746.9328238 748.6190901
749.4636155 751.1876173 752.2326411 753.4610395 753.5551164
754.5135474 755.9269679 756.9166020 759.2677338 760.4435223
762.6190830 763.7073831 765.1705907 767.1653301 767.2606303
768.7548910 769.9038205 771.7721515 773.5256216 773.6193434
774.9287946 776.1236207 778.2634587 778.4568580 779.0453189
780.4073815 780.9278669 782.1272838 784.3151511 784.7743960
785.1242625 786.1694173 788.4397785 789.8083818 791.8081843
792.0619648 792.3982354 794.2115983 795.3202779 795.4619853
798.4717327 800.5493240 801.2456618 801.5850890 802.5561231
804.2938683 804.6410874 806.3600955 807.4879493 808.6868009
810.4313805 811.1295021 812.8132060 815.1152439 815.7847755
817.5850809 818.5540036 820.2252217 820.5389468 822.1665641
822.8560877 823.9942910 826.0408727 826.9986380 827.0084318
829.2230985 829.9593758 831.1408198 832.3347327 833.2155711
834.5108979 836.7920262 837.4898933 838.3225347 838.6712895
839.7422606 840.2571542 841.6848932 842.3511742 844.5860458
845.2607022 846.8697917 849.9929558 851.1427994 851.8543174
854.1966238 855.6693949 855.8663819 855.9691028 856.7603749
857.6674657 860.1459103 861.2105851 863.1575929 865.4342224
866.4219781 866.8330562 867.2021611 868.0714064 869.4775872
870.9174493 872.0461472 873.1830426 873.7785430 877.3185314
877.7479081 882.4194395 883.7105128 885.2334903 886.0384525
886.9319050 887.2969064 889.3314517 890.2772568 892.0973376
892.1638456 892.8000821 894.1853725 894.3954180 895.8296768
897.3553976 900.0232250 900.8045844 902.1775566 903.1324468
904.4918372 905.0532323 905.9159816 906.4364651 907.6978696
909.2786873 911.0789988 911.6877386 912.0509902 914.4739683
915.5589309 916.3330922 917.3108262 918.2443441 919.0326071
919.6713746 922.0043795 922.3555186 923.4244045 925.2869010
926.6159942 927.7518468 928.5812787 930.0289394 930.5607523
932.4482538 934.6908860 935.3820651 935.9645641 937.3484388
938.5173602 940.0238873 941.8969234 942.9041958 944.6510805
945.1495019 947.3509186 948.1529991 949.7442988 950.4340696
951.2782399 952.6021133 953.5922919 955.2960182 956.4756400
957.7752239 959.3410773 960.4258247 961.1490540 962.6509971
964.0829617 965.0269039 965.9096302 968.7460676 970.4552410
971.4093363 973.2253069 973.7602262 974.3306552 976.1653845
978.4532656 978.9670087 980.6810609 981.2473057 982.8136414
983.1688214 984.7960780 986.2266848 986.7622002 989.6663036
991.0157137 992.7239311 993.1503402 993.7768212 995.0811523
996.0831499 998.0974621 999.2194136 999.5083128 1001.5471121
1003.0150362 1003.8921151 1005.6815121 1007.2225652 1008.8684422
1010.2661525 1012.0442755 1012.6990307 1013.1944102 1014.5714180
1014.9910767 1016.1659250 1017.3418655 1020.3591015 1021.2944343
1023.3413415 1024.6728741 1025.8321931 1027.6246474 1030.7555005
1031.5047453 1033.4851771 1035.6764003 1036.5247056 1037.0240628
1039.5111168 1041.8164756 1042.0660148 1043.8085738 1044.6154135
1045.6058422 1048.0365063 1049.5999930 1050.2031058 1052.8348026
1055.4678211 1057.3450034 1057.8967197 1058.3993219 1058.7998139
1061.1714065 1061.5953643 1065.3494317 1066.2450895 1066.4059304
1067.5502174 1069.9504898 1070.3652270 1072.7454276 1073.9202327
1075.1798894 1076.5192476 1077.2413979 1079.2414897 1079.8277951
1082.5718449 1084.0904965 1084.8814549 1086.7429321 1088.2556701
1088.9329263 1091.0480481 1093.4221896 1095.6886090 1096.7030821
1099.6990160 1100.5742019 1103.1639885 1104.1766103 1108.4082316
1108.7895573 1110.2135445 1110.5653949 1113.6853806 1117.2778345
1117.5959947 1119.5434379 1120.2098010 1122.9676829 1123.9489928
1126.3047969 1127.3147289 1128.7401898 1131.7977984 1132.0175675
1132.6359400 1133.5471214 1136.2637730 1137.9618358 1140.5602734
1142.4341710 1144.4695549 1146.1673247 1146.9080592 1150.5383673
1150.7151273 1152.1517733 1153.7796968 1155.3431407 1158.5738867
1160.6335948 1162.8846077 1163.8023262 1164.3899964 1166.3638410
1167.3538024 1167.8230701 1170.8201569 1172.1447293 1173.8495494
1175.2723102 1176.3636542 1179.8918334 1182.5383606 1183.9373915
1185.3245416 1186.3526032 1188.7964126 1190.0845138 1191.1248505
1194.8537467 1195.6317708 1198.0980226 1204.1474893 1206.5708219
1208.1647640 1210.0419772 1211.6353242 1213.0016717 1213.8958841
1215.1321799 1219.3072337 1223.1994340 1226.0705694 1228.2553728
1229.3852514 1230.1872671 1230.9146321 1231.5640079 1235.3779549
1236.3411041 1238.4234271 1242.2233287 1245.9441949 1247.3593747
1247.5597265 1249.2438812 1253.9352408 1256.8453790 1259.4745522
1263.0002085 1265.4655734 1269.9406727 1271.3845479 1282.5571998
1284.3175072 1290.7364524 1292.4719747 1296.3581277 1300.0764189
1306.9329186 1310.0344726 1317.8823101 1321.6975668 1327.6855020
1332.0224199 1336.0549945 1337.8387138 1340.2784717 1354.3657391
1355.9527665 1357.2613833 1368.5789480 1372.8056653 1382.1662449
1385.7561040 1403.3113396 1414.9418101 1422.7395147 1440.4230048
1463.3970709 1481.2008995
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260132522799985.eigenfacs
Openam> file on opening on unit 10:
2404260132522799985.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260132522799985.atom
Openam> file on opening on unit 11:
2404260132522799985.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 = 197
First residue number = 95
Last residue number = 301
Number of atoms found = 214
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9773E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0050E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0063E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0228E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.476
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
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, 642 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 : 0.462400
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= 0.499 for 213 C-alpha atoms.
Bfactors> = 1.461 +/- 2.53
Bfactors> = 21.426 +/- 12.80
Bfactors> Shiftng-fct= 19.965
Bfactors> Scaling-fct= 5.058
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260132522799985 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.7.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 2404260132522799985.7.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 2404260132522799985.7.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 2404260132522799985 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.8.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 2404260132522799985.8.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 2404260132522799985.8.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 2404260132522799985 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.9.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 2404260132522799985.9.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 2404260132522799985.9.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 2404260132522799985 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.10.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 2404260132522799985.10.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 2404260132522799985.10.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 2404260132522799985 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.11.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 2404260132522799985.11.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 2404260132522799985.11.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 2404260132522799985 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.12.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 2404260132522799985.12.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 2404260132522799985.12.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 2404260132522799985 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.13.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 2404260132522799985.13.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 2404260132522799985.13.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 2404260132522799985 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.14.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 2404260132522799985.14.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 2404260132522799985.14.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 2404260132522799985 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.15.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 2404260132522799985.15.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 2404260132522799985.15.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 2404260132522799985 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=-20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=0
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=20
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=40
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=60
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=80
2404260132522799985.eigenfacs
2404260132522799985.atom
calculating perturbed structure for DQ=100
2404260132522799985.eigenfacs
2404260132522799985.atom
making animated gifs
11 models are in 2404260132522799985.16.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 2404260132522799985.16.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 2404260132522799985.16.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
2404260132522799985.10.pdb
2404260132522799985.11.pdb
2404260132522799985.12.pdb
2404260132522799985.13.pdb
2404260132522799985.14.pdb
2404260132522799985.15.pdb
2404260132522799985.16.pdb
2404260132522799985.7.pdb
2404260132522799985.8.pdb
2404260132522799985.9.pdb
STDERR:
real 0m3.788s
user 0m3.775s
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: 2404260132522799985.Chkmod.res: No such file or directory
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
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
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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
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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
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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
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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