***  FXIa G226A  ***
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 = 2602051428002699079.atom
Pdbmat> Distance cutoff = 15.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2602051428002699079.atom to be opened.
Openam> File opened: 2602051428002699079.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 3744
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= -1.232503 +/- 10.097900 From: -26.545000 To: 22.525000
= 0.064659 +/- 9.376603 From: -21.917000 To: 21.938000
= -0.468634 +/- 10.012134 From: -27.667000 To: 22.199000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 21.3867 % Filled.
Pdbmat> 13491682 non-zero elements.
Pdbmat> 1496727 atom-atom interactions.
Pdbmat> Number per atom= 799.53 +/- 287.25
Maximum number = 1452
Minimum number = 139
Pdbmat> Matrix trace = 2.993454E+07
Pdbmat> Larger element = 5084.50
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2602051428002699079.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2602051428002699079.atom to be opened.
Openam> file on opening on unit 11:
2602051428002699079.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3744 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 238 residues.
Blocpdb> 37 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 38
Blocpdb> 24 atoms in block 3
Block first atom: 52
Blocpdb> 27 atoms in block 4
Block first atom: 76
Blocpdb> 31 atoms in block 5
Block first atom: 103
Blocpdb> 39 atoms in block 6
Block first atom: 134
Blocpdb> 38 atoms in block 7
Block first atom: 173
Blocpdb> 33 atoms in block 8
Block first atom: 211
Blocpdb> 33 atoms in block 9
Block first atom: 244
Blocpdb> 31 atoms in block 10
Block first atom: 277
Blocpdb> 25 atoms in block 11
Block first atom: 308
Blocpdb> 28 atoms in block 12
Block first atom: 333
Blocpdb> 41 atoms in block 13
Block first atom: 361
Blocpdb> 36 atoms in block 14
Block first atom: 402
Blocpdb> 17 atoms in block 15
Block first atom: 438
Blocpdb> 18 atoms in block 16
Block first atom: 455
Blocpdb> 38 atoms in block 17
Block first atom: 473
Blocpdb> 21 atoms in block 18
Block first atom: 511
Blocpdb> 41 atoms in block 19
Block first atom: 532
Blocpdb> 38 atoms in block 20
Block first atom: 573
Blocpdb> 24 atoms in block 21
Block first atom: 611
Blocpdb> 27 atoms in block 22
Block first atom: 635
Blocpdb> 30 atoms in block 23
Block first atom: 662
Blocpdb> 28 atoms in block 24
Block first atom: 692
Blocpdb> 31 atoms in block 25
Block first atom: 720
Blocpdb> 25 atoms in block 26
Block first atom: 751
Blocpdb> 41 atoms in block 27
Block first atom: 776
Blocpdb> 43 atoms in block 28
Block first atom: 817
Blocpdb> 37 atoms in block 29
Block first atom: 860
Blocpdb> 18 atoms in block 30
Block first atom: 897
Blocpdb> 38 atoms in block 31
Block first atom: 915
Blocpdb> 31 atoms in block 32
Block first atom: 953
Blocpdb> 26 atoms in block 33
Block first atom: 984
Blocpdb> 41 atoms in block 34
Block first atom: 1010
Blocpdb> 27 atoms in block 35
Block first atom: 1051
Blocpdb> 25 atoms in block 36
Block first atom: 1078
Blocpdb> 40 atoms in block 37
Block first atom: 1103
Blocpdb> 23 atoms in block 38
Block first atom: 1143
Blocpdb> 32 atoms in block 39
Block first atom: 1166
Blocpdb> 38 atoms in block 40
Block first atom: 1198
Blocpdb> 36 atoms in block 41
Block first atom: 1236
Blocpdb> 29 atoms in block 42
Block first atom: 1272
Blocpdb> 43 atoms in block 43
Block first atom: 1301
Blocpdb> 27 atoms in block 44
Block first atom: 1344
Blocpdb> 26 atoms in block 45
Block first atom: 1371
Blocpdb> 28 atoms in block 46
Block first atom: 1397
Blocpdb> 31 atoms in block 47
Block first atom: 1425
Blocpdb> 29 atoms in block 48
Block first atom: 1456
Blocpdb> 41 atoms in block 49
Block first atom: 1485
Blocpdb> 34 atoms in block 50
Block first atom: 1526
Blocpdb> 28 atoms in block 51
Block first atom: 1560
Blocpdb> 30 atoms in block 52
Block first atom: 1588
Blocpdb> 35 atoms in block 53
Block first atom: 1618
Blocpdb> 23 atoms in block 54
Block first atom: 1653
Blocpdb> 41 atoms in block 55
Block first atom: 1676
Blocpdb> 33 atoms in block 56
Block first atom: 1717
Blocpdb> 30 atoms in block 57
Block first atom: 1750
Blocpdb> 25 atoms in block 58
Block first atom: 1780
Blocpdb> 29 atoms in block 59
Block first atom: 1805
Blocpdb> 36 atoms in block 60
Block first atom: 1834
Blocpdb> 30 atoms in block 61
Block first atom: 1870
Blocpdb> 40 atoms in block 62
Block first atom: 1900
Blocpdb> 26 atoms in block 63
Block first atom: 1940
Blocpdb> 34 atoms in block 64
Block first atom: 1966
Blocpdb> 30 atoms in block 65
Block first atom: 2000
Blocpdb> 31 atoms in block 66
Block first atom: 2030
Blocpdb> 28 atoms in block 67
Block first atom: 2061
Blocpdb> 46 atoms in block 68
Block first atom: 2089
Blocpdb> 43 atoms in block 69
Block first atom: 2135
Blocpdb> 34 atoms in block 70
Block first atom: 2178
Blocpdb> 36 atoms in block 71
Block first atom: 2212
Blocpdb> 28 atoms in block 72
Block first atom: 2248
Blocpdb> 36 atoms in block 73
Block first atom: 2276
Blocpdb> 32 atoms in block 74
Block first atom: 2312
Blocpdb> 41 atoms in block 75
Block first atom: 2344
Blocpdb> 33 atoms in block 76
Block first atom: 2385
Blocpdb> 30 atoms in block 77
Block first atom: 2418
Blocpdb> 29 atoms in block 78
Block first atom: 2448
Blocpdb> 25 atoms in block 79
Block first atom: 2477
Blocpdb> 39 atoms in block 80
Block first atom: 2502
Blocpdb> 45 atoms in block 81
Block first atom: 2541
Blocpdb> 31 atoms in block 82
Block first atom: 2586
Blocpdb> 39 atoms in block 83
Block first atom: 2617
Blocpdb> 33 atoms in block 84
Block first atom: 2656
Blocpdb> 39 atoms in block 85
Block first atom: 2689
Blocpdb> 36 atoms in block 86
Block first atom: 2728
Blocpdb> 20 atoms in block 87
Block first atom: 2764
Blocpdb> 28 atoms in block 88
Block first atom: 2784
Blocpdb> 39 atoms in block 89
Block first atom: 2812
Blocpdb> 14 atoms in block 90
Block first atom: 2851
Blocpdb> 34 atoms in block 91
Block first atom: 2865
Blocpdb> 20 atoms in block 92
Block first atom: 2899
Blocpdb> 29 atoms in block 93
Block first atom: 2919
Blocpdb> 23 atoms in block 94
Block first atom: 2948
Blocpdb> 14 atoms in block 95
Block first atom: 2971
Blocpdb> 33 atoms in block 96
Block first atom: 2985
Blocpdb> 21 atoms in block 97
Block first atom: 3018
Blocpdb> 39 atoms in block 98
Block first atom: 3039
Blocpdb> 29 atoms in block 99
Block first atom: 3078
Blocpdb> 40 atoms in block 100
Block first atom: 3107
Blocpdb> 36 atoms in block 101
Block first atom: 3147
Blocpdb> 23 atoms in block 102
Block first atom: 3183
Blocpdb> 33 atoms in block 103
Block first atom: 3206
Blocpdb> 35 atoms in block 104
Block first atom: 3239
Blocpdb> 22 atoms in block 105
Block first atom: 3274
Blocpdb> 17 atoms in block 106
Block first atom: 3296
Blocpdb> 27 atoms in block 107
Block first atom: 3313
Blocpdb> 39 atoms in block 108
Block first atom: 3340
Blocpdb> 38 atoms in block 109
Block first atom: 3379
Blocpdb> 26 atoms in block 110
Block first atom: 3417
Blocpdb> 35 atoms in block 111
Block first atom: 3443
Blocpdb> 30 atoms in block 112
Block first atom: 3478
Blocpdb> 31 atoms in block 113
Block first atom: 3508
Blocpdb> 37 atoms in block 114
Block first atom: 3539
Blocpdb> 36 atoms in block 115
Block first atom: 3576
Blocpdb> 38 atoms in block 116
Block first atom: 3612
Blocpdb> 37 atoms in block 117
Block first atom: 3650
Blocpdb> 31 atoms in block 118
Block first atom: 3687
Blocpdb> 27 atoms in block 119
Block first atom: 3717
Blocpdb> 119 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 14 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 13491801 matrix lines read.
Prepmat> Matrix order = 11232
Prepmat> Matrix trace = 29934540.0000
Prepmat> Last element read: 11232 11232 1041.6003
Prepmat> 7141 lines saved.
Prepmat> 3549 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 3744
RTB> Total mass = 3744.0000
RTB> Number of atoms found in matrix: 3744
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 1852356.9130
RTB> 127491 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 714
Diagstd> Nb of non-zero elements: 127491
Diagstd> Projected matrix trace = 1852356.9130
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 714 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues =1852356.9130
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 187.1806366 208.2958805 239.1049925 282.4986573
310.7952256 354.4173703 384.1920362 396.0886118 435.8814922
457.7936901 467.8006312 474.6988307 516.2360386 533.6600095
541.1032964 563.7347464 587.1818511 599.0758250 617.4415441
630.5920406 635.2326171 640.5026400 645.1391141 654.1216698
663.5806624 671.0347557 680.6195272 716.4171998 721.2628375
727.1628038 744.1639166 762.8250467 771.0789837 784.3669736
793.5398596 808.9826456 817.9009188 833.6003023 847.7595034
856.2157932 870.2475412 885.9067919 889.8033679 894.9787616
910.0890961 920.9373728 932.7117224 942.7759396 961.4730300
966.1545078 981.7744227 986.9981629 996.7679572 1003.9376870
1016.0355759 1021.2699555 1038.6214606 1052.7208457 1055.5992508
1060.8767654 1079.7430189 1087.0783331 1091.2900431 1115.6618155
1125.2126624 1128.1139741 1135.3888081 1143.6295251 1166.6488611
1171.3041301 1176.5711541 1179.2966674 1195.3443079 1201.1992636
1223.9273696 1230.7134895 1234.4291651 1243.9314973 1251.3263441
1267.3011167 1269.4529049 1278.5678326 1287.4923292 1294.0591872
1309.4587333 1319.8961984 1322.0143631 1325.4245082 1339.6070739
1345.7688584 1352.9212904 1362.4676472 1371.3736544 1372.4792307
1388.3379821 1394.4641401 1398.4760514 1400.2451629 1404.2866220
1407.5889238
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034202 0.0034217 0.0034243 0.0034250 0.0034261
0.0034423 1485.6815846 1567.2404089 1679.1504200 1825.1706409
1914.3989597 2044.3383688 2128.4794396 2161.1825797 2267.1460312
2323.4331500 2348.6899097 2365.9434565 2467.2856908 2508.5780048
2526.0117715 2578.2954499 2631.3680193 2657.8849469 2698.3184563
2726.9019509 2736.9173020 2748.2468719 2758.1759483 2777.3112197
2797.3199398 2812.9874047 2833.0059247 2906.5532385 2916.3662141
2928.2699316 2962.3037218 2999.2160563 3015.3984928 3041.2696627
3059.0012427 3088.6228697 3105.6007885 3135.2646946 3161.7797506
3177.5097909 3203.4406535 3232.1335397 3239.2338553 3248.6404304
3275.9497826 3295.4166303 3316.4159700 3334.2604846 3367.1606196
3375.3481328 3402.5235289 3411.5634462 3428.4065368 3440.7146694
3461.3836478 3470.2883167 3499.6444683 3523.3183984 3528.1319321
3536.9404613 3568.2517106 3580.3517859 3587.2808293 3627.1170002
3642.6092463 3647.3023775 3659.0436026 3672.2983691 3709.0728292
3716.4656026 3724.8121784 3729.1239248 3754.4107886 3763.5943588
3799.0333285 3809.5507250 3815.2971424 3829.9536007 3841.3207673
3865.7626797 3869.0431844 3882.9085947 3896.4365218 3906.3607755
3929.5352458 3945.1649791 3948.3293034 3953.4183949 3974.5136821
3983.6439713 3994.2159891 4008.2830249 4021.3621066 4022.9827541
4046.1584209 4055.0756019 4060.9046937 4063.4724612 4069.3323368
4074.1142212
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3744
Rtb_to_modes> Number of blocs = 119
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9199E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9288E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9437E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9477E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9543E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0049E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 187.2
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 208.3
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 239.1
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 282.5
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 310.8
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 354.4
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 384.2
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 396.1
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 435.9
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 457.8
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 467.8
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 474.7
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 516.2
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 533.7
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 541.1
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 563.7
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 587.2
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 599.1
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 617.4
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 630.6
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 635.2
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 640.5
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 645.1
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 654.1
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 663.6
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 671.0
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 680.6
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 716.4
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 721.3
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 727.2
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 744.2
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 762.8
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 771.1
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 784.4
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 793.5
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 809.0
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 817.9
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 833.6
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 847.8
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 856.2
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 870.2
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 885.9
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 889.8
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 895.0
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 910.1
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 920.9
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 932.7
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 942.8
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 961.5
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 966.2
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 981.8
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 987.0
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 996.8
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 1004.
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 1016.
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 1021.
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 1039.
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 1053.
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 1056.
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 1061.
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 1080.
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 1087.
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 1091.
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 1116.
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 1125.
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 1128.
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 1135.
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 1144.
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 1167.
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 1171.
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 1177.
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 1179.
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 1195.
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 1201.
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 1224.
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 1231.
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 1234.
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 1244.
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 1251.
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 1267.
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 1269.
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 1279.
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 1287.
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 1294.
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 1309.
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 1320.
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 1322.
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 1325.
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 1340.
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 1346.
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 1353.
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 1362.
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 1371.
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 1372.
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 1388.
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 1394.
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 1398.
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 1400.
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 1404.
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 1408.
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 1.00002 0.99999 0.99999
1.00002 1.00001 0.99995 0.99996 0.99999
0.99999 1.00003 1.00000 1.00002 0.99999
1.00002 1.00003 0.99999 0.99999 0.99998
1.00002 0.99997 1.00002 1.00002 0.99999
1.00001 0.99996 1.00002 1.00001 1.00001
0.99999 1.00000 1.00002 0.99999 1.00001
0.99997 0.99999 1.00001 1.00001 1.00001
1.00005 1.00000 1.00002 1.00001 1.00005
1.00001 0.99998 1.00003 1.00000 1.00001
1.00000 1.00000 1.00000 1.00003 0.99998
0.99997 1.00004 0.99999 0.99999 0.99999
1.00000 0.99997 0.99999 1.00000 1.00001
0.99997 1.00001 0.99999 1.00001 1.00002
1.00005 1.00003 0.99998 1.00001 1.00000
1.00003 1.00000 1.00001 1.00001 1.00001
1.00002 1.00001 1.00000 1.00002 1.00002
1.00004 1.00001 0.99996 1.00000 0.99998
1.00003 1.00000 0.99997 0.99998 1.00000
1.00001 1.00002 0.99999 1.00003 0.99997
1.00000 0.99999 1.00004 0.99999 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 67392 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 1.00002 0.99999 0.99999
1.00002 1.00001 0.99995 0.99996 0.99999
0.99999 1.00003 1.00000 1.00002 0.99999
1.00002 1.00003 0.99999 0.99999 0.99998
1.00002 0.99997 1.00002 1.00002 0.99999
1.00001 0.99996 1.00002 1.00001 1.00001
0.99999 1.00000 1.00002 0.99999 1.00001
0.99997 0.99999 1.00001 1.00001 1.00001
1.00005 1.00000 1.00002 1.00001 1.00005
1.00001 0.99998 1.00003 1.00000 1.00001
1.00000 1.00000 1.00000 1.00003 0.99998
0.99997 1.00004 0.99999 0.99999 0.99999
1.00000 0.99997 0.99999 1.00000 1.00001
0.99997 1.00001 0.99999 1.00001 1.00002
1.00005 1.00003 0.99998 1.00001 1.00000
1.00003 1.00000 1.00001 1.00001 1.00001
1.00002 1.00001 1.00000 1.00002 1.00002
1.00004 1.00001 0.99996 1.00000 0.99998
1.00003 1.00000 0.99997 0.99998 1.00000
1.00001 1.00002 0.99999 1.00003 0.99997
1.00000 0.99999 1.00004 0.99999 1.00002
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000-0.000-0.000 0.000
Vector 7:-0.000-0.000 0.000 0.000 0.000-0.000
Vector 8:-0.000-0.000 0.000 0.000 0.000-0.000-0.000
Vector 9: 0.000-0.000-0.000 0.000-0.000 0.000 0.000-0.000
Vector 10:-0.000-0.000-0.000-0.000 0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602051428002699079.eigenfacs
Openam> file on opening on unit 10:
2602051428002699079.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602051428002699079.atom
Openam> file on opening on unit 11:
2602051428002699079.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 3744
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9199E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9288E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9437E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9477E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9543E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0049E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 187.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 208.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 239.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 282.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 310.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 354.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 384.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 396.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 435.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 457.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 467.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 474.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 516.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 533.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 541.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 563.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 587.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 599.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 617.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 630.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 635.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 640.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 645.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 654.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 663.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 671.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 680.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 716.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 721.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 727.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 744.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 762.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 771.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 784.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 793.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 809.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 817.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 833.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 847.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 856.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 870.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 885.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 889.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 895.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 910.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 920.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 932.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 942.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 961.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 966.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 981.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 987.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 996.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1004.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1016.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1021.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 1039.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 1053.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 1056.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 1061.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 1080.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 1087.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 1091.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 1116.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 1125.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 1128.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 1135.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 1144.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 1167.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 1171.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 1177.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 1179.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 1195.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 1201.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 1224.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 1231.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 1234.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 1244.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 1251.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 1267.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 1269.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 1279.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 1287.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 1294.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 1309.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 1320.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 1322.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 1325.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 1340.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 1346.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 1353.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 1362.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 1371.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 1372.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 1388.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 1394.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 1398.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 1400.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 1404.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 1408.
Bfactors> 106 vectors, 11232 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 : 187.200000
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= -0.575 for 238 C-alpha atoms.
Bfactors> = 0.000 +/- 0.00
Bfactors> = 97.209 +/- 4.58
Bfactors> Shiftng-fct= 97.209
Bfactors> Scaling-fct= 7773.570
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602051428002699079.eigenfacs
Openam> file on opening on unit 10:
2602051428002699079.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4200E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4216E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4241E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4248E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4260E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4422E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 1486.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 1567.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 1679.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 1825.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 1914.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 2044.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 2128.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 2161.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 2267.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 2323.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 2349.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 2366.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 2467.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 2509.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 2526.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 2578.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 2631.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 2658.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 2698.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 2727.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 2737.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 2748.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 2758.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 2777.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 2797.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 2813.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 2833.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 2906.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 2916.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 2928.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 2962.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 2999.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 3015.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 3041.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 3059.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 3089.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 3105.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 3135.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 3162.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 3177.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 3203.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 3232.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 3239.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 3249.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 3276.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 3295.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 3316.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 3334.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 3367.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 3375.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 3402.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 3411.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 3428.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 3441.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 3461.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 3470.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 3500.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 3524.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 3529.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 3537.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 3569.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 3580.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 3587.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 3628.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 3642.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 3647.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 3658.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 3673.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 3709.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 3716.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 3725.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 3728.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 3754.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 3763.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 3799.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 3810.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 3814.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 3830.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 3841.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 3865.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 3868.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 3883.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 3896.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 3906.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 3929.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 3945.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 3948.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 3953.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 3975.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 3984.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 3994.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 4007.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 4021.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 4022.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 4045.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 4054.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 4060.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 4063.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 4069.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 4075.
Chkmod> 106 vectors, 11232 coordinates in file.
Chkmod> That is: 3744 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 41 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 71 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.8797
0.0034 0.8617
0.0034 0.7635
0.0034 0.9093
0.0034 0.9236
0.0034 0.7926
1485.6946 0.3232
1567.1886 0.3150
1679.0608 0.0936
1825.0966 0.0374
1914.3315 0.2570
2044.2005 0.1643
2128.4101 0.2687
2161.1209 0.2498
2267.0968 0.0539
2323.3494 0.1929
2348.5875 0.1778
2365.8448 0.1457
2467.0937 0.2395
2508.5643 0.1564
2525.8956 0.1495
2578.1053 0.1409
2631.2957 0.1374
2657.8245 0.2188
2698.1118 0.0585
2726.8021 0.2105
2736.7295 0.1789
2748.1232 0.0632
2757.9739 0.2240
2777.1460 0.1731
2797.2406 0.0782
2812.7938 0.2090
2832.8437 0.1685
2906.3936 0.2379
2916.3161 0.2313
2928.2191 0.2433
2962.2484 0.1036
2999.0381 0.2830
3015.3101 0.2230
3041.2031 0.1513
3058.7931 0.2274
3088.5234 0.1785
3105.4657 0.2933
3135.1295 0.3300
3161.7195 0.1591
3177.3441 0.1705
3203.2156 0.1345
3231.9824 0.2092
3239.0887 0.4140
3248.5395 0.1997
3275.8288 0.1789
3295.2083 0.1776
3316.2528 0.1607
3334.1599 0.2568
3367.0633 0.2965
3375.2827 0.3183
3402.4218 0.2764
3411.4202 0.3285
3428.3145 0.1836
3440.6737 0.1584
3461.1745 0.2402
3469.6807 0.2102
3500.1319 0.2230
3523.6342 0.1343
3528.6501 0.1964
3536.9940 0.1561
3568.5231 0.2288
3580.0691 0.3184
3586.6501 0.2155
3627.5110 0.1385
3642.1087 0.0775
3646.9616 0.1311
3658.2600 0.1813
3672.7355 0.2294
3709.4717 0.2352
3715.8236 0.1232
3725.3310 0.2079
3728.4948 0.1776
3753.7089 0.2291
3763.1206 0.2598
3798.9830 0.2469
3809.8306 0.2718
3814.4701 0.3188
3829.8946 0.1823
3840.6550 0.1117
3865.1375 0.2053
3868.1869 0.2584
3883.3981 0.2488
3895.5242 0.2215
3906.1038 0.2405
3928.6782 0.1932
3945.1507 0.2791
3948.1384 0.1922
3952.6156 0.1744
3974.9259 0.2754
3983.8150 0.1551
3994.1607 0.2966
4007.4230 0.1290
4020.6416 0.1663
4022.1077 0.2894
4045.4922 0.2174
4054.2266 0.2231
4060.0392 0.2171
4062.9423 0.2391
4068.7424 0.2259
4074.5342 0.2739
getting mode 7
running: ../../bin/get_modes.sh 2602051428002699079 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2602051428002699079 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2602051428002699079 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2602051428002699079 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2602051428002699079 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2602051428002699079 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2602051428002699079 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2602051428002699079 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2602051428002699079 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2602051428002699079 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2602051428002699079 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2602051428002699079 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2602051428002699079 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2602051428002699079 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2602051428002699079 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2602051428002699079 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2602051428002699079 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2602051428002699079 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2602051428002699079 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2602051428002699079 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2602051428002699079 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2602051428002699079 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2602051428002699079 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2602051428002699079 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2602051428002699079 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=-50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=0
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=50
2602051428002699079.eigenfacs
2602051428002699079.atom
calculating perturbed structure for DQ=100
2602051428002699079.eigenfacs
2602051428002699079.atom
making animated gifs
5 models are in 2602051428002699079.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602051428002699079.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2602051428002699079.10.pdb
2602051428002699079.11.pdb
2602051428002699079.12.pdb
2602051428002699079.13.pdb
2602051428002699079.14.pdb
2602051428002699079.15.pdb
2602051428002699079.16.pdb
2602051428002699079.17.pdb
2602051428002699079.18.pdb
2602051428002699079.19.pdb
2602051428002699079.20.pdb
2602051428002699079.21.pdb
2602051428002699079.22.pdb
2602051428002699079.23.pdb
2602051428002699079.24.pdb
2602051428002699079.25.pdb
2602051428002699079.26.pdb
2602051428002699079.27.pdb
2602051428002699079.28.pdb
2602051428002699079.29.pdb
2602051428002699079.30.pdb
2602051428002699079.31.pdb
2602051428002699079.7.pdb
2602051428002699079.8.pdb
2602051428002699079.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.427s
user 0m13.990s
sys 0m0.427s
rm: cannot remove '2602051428002699079.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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