*** 01-JUN-22 ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
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 = 2401180425131579045.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2401180425131579045.atom to be opened.
Openam> File opened: 2401180425131579045.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 = 659
First residue number = 1
Last residue number = 659
Number of atoms found = 5368
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -9.809189 +/- 20.612779 From: -65.222000 To: 35.173000
= 0.802297 +/- 14.053509 From: -39.624000 To: 35.248000
= 3.101025 +/- 16.996136 From: -39.068000 To: 46.696000
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 1.4662 % Filled.
Pdbmat> 1901312 non-zero elements.
Pdbmat> 207716 atom-atom interactions.
Pdbmat> Number per atom= 77.39 +/- 25.33
Maximum number = 133
Minimum number = 8
Pdbmat> Matrix trace = 4.154320E+06
Pdbmat> Larger element = 493.693
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
659 non-zero elements, NRBL set to 4
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 = 2401180425131579045.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2401180425131579045.atom to be opened.
Openam> file on opening on unit 11:
2401180425131579045.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5368 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 659 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 26
Blocpdb> 36 atoms in block 3
Block first atom: 57
Blocpdb> 35 atoms in block 4
Block first atom: 93
Blocpdb> 34 atoms in block 5
Block first atom: 128
Blocpdb> 29 atoms in block 6
Block first atom: 162
Blocpdb> 40 atoms in block 7
Block first atom: 191
Blocpdb> 35 atoms in block 8
Block first atom: 231
Blocpdb> 33 atoms in block 9
Block first atom: 266
Blocpdb> 38 atoms in block 10
Block first atom: 299
Blocpdb> 40 atoms in block 11
Block first atom: 337
Blocpdb> 35 atoms in block 12
Block first atom: 377
Blocpdb> 30 atoms in block 13
Block first atom: 412
Blocpdb> 27 atoms in block 14
Block first atom: 442
Blocpdb> 33 atoms in block 15
Block first atom: 469
Blocpdb> 28 atoms in block 16
Block first atom: 502
Blocpdb> 30 atoms in block 17
Block first atom: 530
Blocpdb> 33 atoms in block 18
Block first atom: 560
Blocpdb> 30 atoms in block 19
Block first atom: 593
Blocpdb> 35 atoms in block 20
Block first atom: 623
Blocpdb> 35 atoms in block 21
Block first atom: 658
Blocpdb> 30 atoms in block 22
Block first atom: 693
Blocpdb> 34 atoms in block 23
Block first atom: 723
Blocpdb> 31 atoms in block 24
Block first atom: 757
Blocpdb> 41 atoms in block 25
Block first atom: 788
Blocpdb> 34 atoms in block 26
Block first atom: 829
Blocpdb> 36 atoms in block 27
Block first atom: 863
Blocpdb> 31 atoms in block 28
Block first atom: 899
Blocpdb> 31 atoms in block 29
Block first atom: 930
Blocpdb> 33 atoms in block 30
Block first atom: 961
Blocpdb> 45 atoms in block 31
Block first atom: 994
Blocpdb> 35 atoms in block 32
Block first atom: 1039
Blocpdb> 32 atoms in block 33
Block first atom: 1074
Blocpdb> 37 atoms in block 34
Block first atom: 1106
Blocpdb> 32 atoms in block 35
Block first atom: 1143
Blocpdb> 38 atoms in block 36
Block first atom: 1175
Blocpdb> 39 atoms in block 37
Block first atom: 1213
Blocpdb> 33 atoms in block 38
Block first atom: 1252
Blocpdb> 26 atoms in block 39
Block first atom: 1285
Blocpdb> 30 atoms in block 40
Block first atom: 1311
Blocpdb> 25 atoms in block 41
Block first atom: 1341
Blocpdb> 31 atoms in block 42
Block first atom: 1366
Blocpdb> 36 atoms in block 43
Block first atom: 1397
Blocpdb> 27 atoms in block 44
Block first atom: 1433
Blocpdb> 23 atoms in block 45
Block first atom: 1460
Blocpdb> 37 atoms in block 46
Block first atom: 1483
Blocpdb> 33 atoms in block 47
Block first atom: 1520
Blocpdb> 28 atoms in block 48
Block first atom: 1553
Blocpdb> 35 atoms in block 49
Block first atom: 1581
Blocpdb> 34 atoms in block 50
Block first atom: 1616
Blocpdb> 29 atoms in block 51
Block first atom: 1650
Blocpdb> 26 atoms in block 52
Block first atom: 1679
Blocpdb> 25 atoms in block 53
Block first atom: 1705
Blocpdb> 30 atoms in block 54
Block first atom: 1730
Blocpdb> 32 atoms in block 55
Block first atom: 1760
Blocpdb> 33 atoms in block 56
Block first atom: 1792
Blocpdb> 35 atoms in block 57
Block first atom: 1825
Blocpdb> 29 atoms in block 58
Block first atom: 1860
Blocpdb> 36 atoms in block 59
Block first atom: 1889
Blocpdb> 30 atoms in block 60
Block first atom: 1925
Blocpdb> 39 atoms in block 61
Block first atom: 1955
Blocpdb> 32 atoms in block 62
Block first atom: 1994
Blocpdb> 43 atoms in block 63
Block first atom: 2026
Blocpdb> 35 atoms in block 64
Block first atom: 2069
Blocpdb> 30 atoms in block 65
Block first atom: 2104
Blocpdb> 33 atoms in block 66
Block first atom: 2134
Blocpdb> 33 atoms in block 67
Block first atom: 2167
Blocpdb> 28 atoms in block 68
Block first atom: 2200
Blocpdb> 31 atoms in block 69
Block first atom: 2228
Blocpdb> 38 atoms in block 70
Block first atom: 2259
Blocpdb> 41 atoms in block 71
Block first atom: 2297
Blocpdb> 36 atoms in block 72
Block first atom: 2338
Blocpdb> 29 atoms in block 73
Block first atom: 2374
Blocpdb> 34 atoms in block 74
Block first atom: 2403
Blocpdb> 31 atoms in block 75
Block first atom: 2437
Blocpdb> 28 atoms in block 76
Block first atom: 2468
Blocpdb> 34 atoms in block 77
Block first atom: 2496
Blocpdb> 26 atoms in block 78
Block first atom: 2530
Blocpdb> 32 atoms in block 79
Block first atom: 2556
Blocpdb> 31 atoms in block 80
Block first atom: 2588
Blocpdb> 27 atoms in block 81
Block first atom: 2619
Blocpdb> 28 atoms in block 82
Block first atom: 2646
Blocpdb> 30 atoms in block 83
Block first atom: 2674
Blocpdb> 36 atoms in block 84
Block first atom: 2704
Blocpdb> 26 atoms in block 85
Block first atom: 2740
Blocpdb> 36 atoms in block 86
Block first atom: 2766
Blocpdb> 34 atoms in block 87
Block first atom: 2802
Blocpdb> 38 atoms in block 88
Block first atom: 2836
Blocpdb> 28 atoms in block 89
Block first atom: 2874
Blocpdb> 33 atoms in block 90
Block first atom: 2902
Blocpdb> 41 atoms in block 91
Block first atom: 2935
Blocpdb> 23 atoms in block 92
Block first atom: 2976
Blocpdb> 33 atoms in block 93
Block first atom: 2999
Blocpdb> 36 atoms in block 94
Block first atom: 3032
Blocpdb> 31 atoms in block 95
Block first atom: 3068
Blocpdb> 30 atoms in block 96
Block first atom: 3099
Blocpdb> 25 atoms in block 97
Block first atom: 3129
Blocpdb> 28 atoms in block 98
Block first atom: 3154
Blocpdb> 33 atoms in block 99
Block first atom: 3182
Blocpdb> 32 atoms in block 100
Block first atom: 3215
Blocpdb> 34 atoms in block 101
Block first atom: 3247
Blocpdb> 34 atoms in block 102
Block first atom: 3281
Blocpdb> 24 atoms in block 103
Block first atom: 3315
Blocpdb> 29 atoms in block 104
Block first atom: 3339
Blocpdb> 34 atoms in block 105
Block first atom: 3368
Blocpdb> 38 atoms in block 106
Block first atom: 3402
Blocpdb> 32 atoms in block 107
Block first atom: 3440
Blocpdb> 33 atoms in block 108
Block first atom: 3472
Blocpdb> 28 atoms in block 109
Block first atom: 3505
Blocpdb> 31 atoms in block 110
Block first atom: 3533
Blocpdb> 37 atoms in block 111
Block first atom: 3564
Blocpdb> 30 atoms in block 112
Block first atom: 3601
Blocpdb> 32 atoms in block 113
Block first atom: 3631
Blocpdb> 34 atoms in block 114
Block first atom: 3663
Blocpdb> 32 atoms in block 115
Block first atom: 3697
Blocpdb> 29 atoms in block 116
Block first atom: 3729
Blocpdb> 36 atoms in block 117
Block first atom: 3758
Blocpdb> 34 atoms in block 118
Block first atom: 3794
Blocpdb> 36 atoms in block 119
Block first atom: 3828
Blocpdb> 25 atoms in block 120
Block first atom: 3864
Blocpdb> 30 atoms in block 121
Block first atom: 3889
Blocpdb> 40 atoms in block 122
Block first atom: 3919
Blocpdb> 40 atoms in block 123
Block first atom: 3959
Blocpdb> 36 atoms in block 124
Block first atom: 3999
Blocpdb> 34 atoms in block 125
Block first atom: 4035
Blocpdb> 31 atoms in block 126
Block first atom: 4069
Blocpdb> 27 atoms in block 127
Block first atom: 4100
Blocpdb> 37 atoms in block 128
Block first atom: 4127
Blocpdb> 33 atoms in block 129
Block first atom: 4164
Blocpdb> 40 atoms in block 130
Block first atom: 4197
Blocpdb> 26 atoms in block 131
Block first atom: 4237
Blocpdb> 33 atoms in block 132
Block first atom: 4263
Blocpdb> 32 atoms in block 133
Block first atom: 4296
Blocpdb> 27 atoms in block 134
Block first atom: 4328
Blocpdb> 32 atoms in block 135
Block first atom: 4355
Blocpdb> 29 atoms in block 136
Block first atom: 4387
Blocpdb> 35 atoms in block 137
Block first atom: 4416
Blocpdb> 36 atoms in block 138
Block first atom: 4451
Blocpdb> 23 atoms in block 139
Block first atom: 4487
Blocpdb> 33 atoms in block 140
Block first atom: 4510
Blocpdb> 38 atoms in block 141
Block first atom: 4543
Blocpdb> 30 atoms in block 142
Block first atom: 4581
Blocpdb> 34 atoms in block 143
Block first atom: 4611
Blocpdb> 32 atoms in block 144
Block first atom: 4645
Blocpdb> 31 atoms in block 145
Block first atom: 4677
Blocpdb> 34 atoms in block 146
Block first atom: 4708
Blocpdb> 37 atoms in block 147
Block first atom: 4742
Blocpdb> 35 atoms in block 148
Block first atom: 4779
Blocpdb> 29 atoms in block 149
Block first atom: 4814
Blocpdb> 39 atoms in block 150
Block first atom: 4843
Blocpdb> 32 atoms in block 151
Block first atom: 4882
Blocpdb> 30 atoms in block 152
Block first atom: 4914
Blocpdb> 32 atoms in block 153
Block first atom: 4944
Blocpdb> 31 atoms in block 154
Block first atom: 4976
Blocpdb> 40 atoms in block 155
Block first atom: 5007
Blocpdb> 28 atoms in block 156
Block first atom: 5047
Blocpdb> 35 atoms in block 157
Block first atom: 5075
Blocpdb> 34 atoms in block 158
Block first atom: 5110
Blocpdb> 39 atoms in block 159
Block first atom: 5144
Blocpdb> 31 atoms in block 160
Block first atom: 5183
Blocpdb> 36 atoms in block 161
Block first atom: 5214
Blocpdb> 33 atoms in block 162
Block first atom: 5250
Blocpdb> 30 atoms in block 163
Block first atom: 5283
Blocpdb> 31 atoms in block 164
Block first atom: 5313
Blocpdb> 25 atoms in block 165
Block first atom: 5343
Blocpdb> 165 blocks.
Blocpdb> At most, 45 atoms in each of them.
Blocpdb> At least, 23 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> 1901477 matrix lines read.
Prepmat> Matrix order = 16104
Prepmat> Matrix trace = 4154320.0000
Prepmat> Last element read: 16104 16104 181.0899
Prepmat> 13696 lines saved.
Prepmat> 12278 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: 5368
RTB> Total mass = 5368.0000
RTB> Number of atoms found in matrix: 5368
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 181568.5810
RTB> 48526 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 = 990
Diagstd> Nb of non-zero elements: 48526
Diagstd> Projected matrix trace = 181568.5810
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 181568.5810
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 0.0058009 0.0089238 0.0180837 0.0850844
0.1036123 0.2354170 0.2723106 0.3415416 0.3583477
0.5424354 0.6007085 0.6679826 0.8501681 1.1505658
1.1964797 1.3381086 1.3591373 1.6080114 1.7693370
2.1390440 2.3837931 2.7289009 2.7942855 2.9444967
3.0643649 3.4184100 3.4528778 3.6912699 3.8862871
4.0528525 4.1214403 4.4463342 4.8666532 5.0634991
5.3654004 5.5945039 5.9084554 6.2590983 6.7561072
6.9684405 7.2729063 7.5913392 8.0871624 8.5625324
8.8266575 8.9792997 9.2003543 9.5896096 9.6572585
9.9072137 10.3126358 11.2214851 11.6201811 11.9971780
12.0603443 12.4315068 12.7200615 13.5887783 14.0919550
14.3975692 14.8112572 15.2439081 15.3762790 16.1888331
16.2983838 16.7703796 16.9937103 17.3882265 17.6887799
18.1490119 18.6771374 18.9164104 19.2102367 19.7992545
20.2572537 20.5614277 20.9963997 21.5996246 21.7792521
22.5696673 23.2985739 23.5711764 23.6360267 24.1265201
24.5670985 25.5037751 25.7257689 26.3095735 27.0994806
27.3140647 28.2135403 28.4518198 28.8574904 29.1860455
29.3455247 29.7628164 30.0673095 30.4330320 30.7953348
31.1279131
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034334 0.0034338 0.0034339 0.0034342 0.0034343
0.0034360 8.2707429 10.2581835 14.6028917 31.6752638
34.9543232 52.6883012 56.6666532 63.4624852 65.0051204
79.9777696 84.1641559 88.7519417 100.1261870 116.4799070
118.7812659 125.6148457 126.5980289 137.7018725 144.4443489
158.8199804 167.6600366 179.3862555 181.5225840 186.3377365
190.0927351 200.7739478 201.7836083 208.6330845 214.0734080
218.6128455 220.4549155 228.9793579 239.5578915 244.3546725
251.5337984 256.8479301 263.9564382 271.6759319 282.2562358
286.6573474 292.8527296 299.1951015 308.8114278 317.7579283
322.6215826 325.3992254 329.3802519 336.2759004 337.4599277
341.7992023 348.7226210 363.7646132 370.1704336 376.1272776
377.1161516 382.8751373 387.2932132 400.2999051 407.6438584
412.0404647 417.9181586 423.9781160 425.8149503 436.9211344
438.3969773 444.6995882 447.6508215 452.8172096 456.7138894
462.6171965 469.2998736 472.2964100 475.9503361 483.1919596
488.7486418 492.4043873 497.5854767 504.6826586 506.7768427
515.8908900 524.1552611 527.2127562 527.9375059 533.3872412
538.2353450 548.4000872 550.7816489 556.9961378 565.2958067
567.5295079 576.7984347 579.2290098 583.3437651 586.6551772
588.2558027 592.4235208 595.4462495 599.0566473 602.6119575
605.8572134
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5368
Rtb_to_modes> Number of blocs = 165
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: 9.9968E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.8009E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.9238E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.8084E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.5084E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1036
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2354
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2723
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3415
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3583
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5424
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.6007
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6680
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8502
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.151
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.196
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.338
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.359
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.608
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.769
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.139
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.384
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.729
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.794
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.944
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.064
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.418
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.453
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.691
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.886
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.053
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.121
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.446
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.867
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.063
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.365
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.595
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.908
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 6.259
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.756
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.968
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 7.273
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 7.591
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 8.087
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 8.563
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 8.827
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 8.979
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 9.200
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 9.590
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 9.657
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 9.907
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 10.31
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.22
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.06
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 12.72
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.59
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 14.09
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 14.40
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 15.24
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 15.38
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 16.19
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 16.30
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 16.77
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 16.99
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 17.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 17.69
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 18.15
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 18.68
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 19.21
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 19.80
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 20.26
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 20.56
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 21.60
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 21.78
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 23.30
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 23.64
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 24.13
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 24.57
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 25.50
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 25.73
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 26.31
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 27.10
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 27.31
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 28.21
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 28.45
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 28.86
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 29.35
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 29.76
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 30.07
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 30.43
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 30.80
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 31.13
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00002 1.00000 1.00000
1.00000 0.99999 1.00000 1.00000 1.00005
0.99998 1.00002 1.00005 1.00000 1.00004
0.99998 1.00000 0.99999 1.00001 1.00001
0.99999 1.00005 0.99999 0.99999 0.99998
1.00000 1.00000 1.00001 1.00003 1.00000
1.00001 0.99999 1.00004 1.00000 0.99998
1.00003 1.00001 0.99996 1.00003 1.00000
1.00000 0.99998 1.00000 1.00001 1.00000
1.00005 1.00000 0.99999 1.00001 0.99998
1.00000 0.99999 0.99999 1.00000 0.99999
0.99998 0.99999 0.99999 0.99999 1.00001
1.00001 1.00001 1.00002 0.99996 0.99999
0.99999 0.99999 0.99998 1.00000 0.99996
1.00000 1.00001 1.00000 1.00000 0.99998
1.00000 0.99999 1.00000 0.99997 1.00000
0.99999 1.00000 1.00004 1.00001 0.99998
0.99998 1.00001 0.99996 1.00000 1.00001
0.99999 0.99999 1.00003 1.00001 0.99998
0.99998 1.00002 1.00000 1.00002 1.00001
0.99997 0.99998 0.99998 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 96624 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00002 1.00000 1.00000
1.00000 0.99999 1.00000 1.00000 1.00005
0.99998 1.00002 1.00005 1.00000 1.00004
0.99998 1.00000 0.99999 1.00001 1.00001
0.99999 1.00005 0.99999 0.99999 0.99998
1.00000 1.00000 1.00001 1.00003 1.00000
1.00001 0.99999 1.00004 1.00000 0.99998
1.00003 1.00001 0.99996 1.00003 1.00000
1.00000 0.99998 1.00000 1.00001 1.00000
1.00005 1.00000 0.99999 1.00001 0.99998
1.00000 0.99999 0.99999 1.00000 0.99999
0.99998 0.99999 0.99999 0.99999 1.00001
1.00001 1.00001 1.00002 0.99996 0.99999
0.99999 0.99999 0.99998 1.00000 0.99996
1.00000 1.00001 1.00000 1.00000 0.99998
1.00000 0.99999 1.00000 0.99997 1.00000
0.99999 1.00000 1.00004 1.00001 0.99998
0.99998 1.00001 0.99996 1.00000 1.00001
0.99999 0.99999 1.00003 1.00001 0.99998
0.99998 1.00002 1.00000 1.00002 1.00001
0.99997 0.99998 0.99998 1.00000 0.99999
1.00000
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> 2401180425131579045.eigenfacs
Openam> file on opening on unit 10:
2401180425131579045.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401180425131579045.atom
Openam> file on opening on unit 11:
2401180425131579045.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 = 659
First residue number = 1
Last residue number = 659
Number of atoms found = 5368
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8009E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.9238E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8084E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.5084E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3415
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 15.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 16.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 19.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 20.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 21.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 24.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 24.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 25.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 25.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 26.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 27.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 27.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 28.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 28.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 28.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 29.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 29.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 30.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 30.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 30.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 31.13
Bfactors> 106 vectors, 16104 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 : 0.005801
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= -0.570 for 659 C-alpha atoms.
Bfactors> = 1.101 +/- 4.75
Bfactors> = 84.481 +/- 16.18
Bfactors> Shiftng-fct= 83.381
Bfactors> Scaling-fct= 3.406
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401180425131579045 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=0
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=100
2401180425131579045.eigenfacs
2401180425131579045.atom
making animated gifs
11 models are in 2401180425131579045.7.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 2401180425131579045.7.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 2401180425131579045.7.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 2401180425131579045 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=0
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=100
2401180425131579045.eigenfacs
2401180425131579045.atom
making animated gifs
11 models are in 2401180425131579045.8.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 2401180425131579045.8.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 2401180425131579045.8.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 2401180425131579045 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=0
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=100
2401180425131579045.eigenfacs
2401180425131579045.atom
making animated gifs
11 models are in 2401180425131579045.9.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 2401180425131579045.9.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 2401180425131579045.9.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 2401180425131579045 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=0
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=100
2401180425131579045.eigenfacs
2401180425131579045.atom
making animated gifs
11 models are in 2401180425131579045.10.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 2401180425131579045.10.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 2401180425131579045.10.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 2401180425131579045 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=-20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=0
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=20
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=40
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=60
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=80
2401180425131579045.eigenfacs
2401180425131579045.atom
calculating perturbed structure for DQ=100
2401180425131579045.eigenfacs
2401180425131579045.atom
making animated gifs
11 models are in 2401180425131579045.11.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 2401180425131579045.11.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 2401180425131579045.11.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
2401180425131579045.10.pdb
2401180425131579045.11.pdb
2401180425131579045.7.pdb
2401180425131579045.8.pdb
2401180425131579045.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.981s
user 0m22.869s
sys 0m0.112s
../../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: 2401180425131579045.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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