*** ***
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 = 2403291746071456436.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 2403291746071456436.atom to be opened.
Openam> File opened: 2403291746071456436.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 = 394
First residue number = 1
Last residue number = 394
Number of atoms found = 3193
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 0.680844 +/- 10.873128 From: -23.609000 To: 28.344000
= -1.252539 +/- 11.970123 From: -31.719000 To: 29.078000
= -0.326166 +/- 11.901829 From: -28.953000 To: 25.703000
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 2.7420 % Filled.
Pdbmat> 1258129 non-zero elements.
Pdbmat> 137814 atom-atom interactions.
Pdbmat> Number per atom= 86.32 +/- 23.18
Maximum number = 131
Minimum number = 18
Pdbmat> Matrix trace = 2.756280E+06
Pdbmat> Larger element = 504.443
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
394 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 = 2403291746071456436.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 2403291746071456436.atom to be opened.
Openam> file on opening on unit 11:
2403291746071456436.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3193 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> 394 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 18
Blocpdb> 13 atoms in block 3
Block first atom: 34
Blocpdb> 14 atoms in block 4
Block first atom: 47
Blocpdb> 12 atoms in block 5
Block first atom: 61
Blocpdb> 17 atoms in block 6
Block first atom: 73
Blocpdb> 15 atoms in block 7
Block first atom: 90
Blocpdb> 16 atoms in block 8
Block first atom: 105
Blocpdb> 13 atoms in block 9
Block first atom: 121
Blocpdb> 18 atoms in block 10
Block first atom: 134
Blocpdb> 19 atoms in block 11
Block first atom: 152
Blocpdb> 13 atoms in block 12
Block first atom: 171
Blocpdb> 16 atoms in block 13
Block first atom: 184
Blocpdb> 22 atoms in block 14
Block first atom: 200
Blocpdb> 24 atoms in block 15
Block first atom: 222
Blocpdb> 15 atoms in block 16
Block first atom: 246
Blocpdb> 11 atoms in block 17
Block first atom: 261
Blocpdb> 20 atoms in block 18
Block first atom: 272
Blocpdb> 19 atoms in block 19
Block first atom: 292
Blocpdb> 14 atoms in block 20
Block first atom: 311
Blocpdb> 23 atoms in block 21
Block first atom: 325
Blocpdb> 16 atoms in block 22
Block first atom: 348
Blocpdb> 16 atoms in block 23
Block first atom: 364
Blocpdb> 16 atoms in block 24
Block first atom: 380
Blocpdb> 14 atoms in block 25
Block first atom: 396
Blocpdb> 13 atoms in block 26
Block first atom: 410
Blocpdb> 14 atoms in block 27
Block first atom: 423
Blocpdb> 17 atoms in block 28
Block first atom: 437
Blocpdb> 15 atoms in block 29
Block first atom: 454
Blocpdb> 17 atoms in block 30
Block first atom: 469
Blocpdb> 17 atoms in block 31
Block first atom: 486
Blocpdb> 11 atoms in block 32
Block first atom: 503
Blocpdb> 15 atoms in block 33
Block first atom: 514
Blocpdb> 19 atoms in block 34
Block first atom: 529
Blocpdb> 21 atoms in block 35
Block first atom: 548
Blocpdb> 15 atoms in block 36
Block first atom: 569
Blocpdb> 15 atoms in block 37
Block first atom: 584
Blocpdb> 18 atoms in block 38
Block first atom: 599
Blocpdb> 22 atoms in block 39
Block first atom: 617
Blocpdb> 21 atoms in block 40
Block first atom: 639
Blocpdb> 20 atoms in block 41
Block first atom: 660
Blocpdb> 16 atoms in block 42
Block first atom: 680
Blocpdb> 16 atoms in block 43
Block first atom: 696
Blocpdb> 20 atoms in block 44
Block first atom: 712
Blocpdb> 15 atoms in block 45
Block first atom: 732
Blocpdb> 16 atoms in block 46
Block first atom: 747
Blocpdb> 16 atoms in block 47
Block first atom: 763
Blocpdb> 15 atoms in block 48
Block first atom: 779
Blocpdb> 23 atoms in block 49
Block first atom: 794
Blocpdb> 12 atoms in block 50
Block first atom: 817
Blocpdb> 15 atoms in block 51
Block first atom: 829
Blocpdb> 14 atoms in block 52
Block first atom: 844
Blocpdb> 21 atoms in block 53
Block first atom: 858
Blocpdb> 16 atoms in block 54
Block first atom: 879
Blocpdb> 15 atoms in block 55
Block first atom: 895
Blocpdb> 20 atoms in block 56
Block first atom: 910
Blocpdb> 15 atoms in block 57
Block first atom: 930
Blocpdb> 17 atoms in block 58
Block first atom: 945
Blocpdb> 16 atoms in block 59
Block first atom: 962
Blocpdb> 18 atoms in block 60
Block first atom: 978
Blocpdb> 16 atoms in block 61
Block first atom: 996
Blocpdb> 18 atoms in block 62
Block first atom: 1012
Blocpdb> 15 atoms in block 63
Block first atom: 1030
Blocpdb> 19 atoms in block 64
Block first atom: 1045
Blocpdb> 16 atoms in block 65
Block first atom: 1064
Blocpdb> 19 atoms in block 66
Block first atom: 1080
Blocpdb> 13 atoms in block 67
Block first atom: 1099
Blocpdb> 14 atoms in block 68
Block first atom: 1112
Blocpdb> 11 atoms in block 69
Block first atom: 1126
Blocpdb> 16 atoms in block 70
Block first atom: 1137
Blocpdb> 20 atoms in block 71
Block first atom: 1153
Blocpdb> 12 atoms in block 72
Block first atom: 1173
Blocpdb> 17 atoms in block 73
Block first atom: 1185
Blocpdb> 16 atoms in block 74
Block first atom: 1202
Blocpdb> 16 atoms in block 75
Block first atom: 1218
Blocpdb> 19 atoms in block 76
Block first atom: 1234
Blocpdb> 20 atoms in block 77
Block first atom: 1253
Blocpdb> 9 atoms in block 78
Block first atom: 1273
Blocpdb> 15 atoms in block 79
Block first atom: 1282
Blocpdb> 17 atoms in block 80
Block first atom: 1297
Blocpdb> 15 atoms in block 81
Block first atom: 1314
Blocpdb> 12 atoms in block 82
Block first atom: 1329
Blocpdb> 17 atoms in block 83
Block first atom: 1341
Blocpdb> 18 atoms in block 84
Block first atom: 1358
Blocpdb> 19 atoms in block 85
Block first atom: 1376
Blocpdb> 16 atoms in block 86
Block first atom: 1395
Blocpdb> 17 atoms in block 87
Block first atom: 1411
Blocpdb> 20 atoms in block 88
Block first atom: 1428
Blocpdb> 17 atoms in block 89
Block first atom: 1448
Blocpdb> 16 atoms in block 90
Block first atom: 1465
Blocpdb> 14 atoms in block 91
Block first atom: 1481
Blocpdb> 15 atoms in block 92
Block first atom: 1495
Blocpdb> 19 atoms in block 93
Block first atom: 1510
Blocpdb> 14 atoms in block 94
Block first atom: 1529
Blocpdb> 15 atoms in block 95
Block first atom: 1543
Blocpdb> 13 atoms in block 96
Block first atom: 1558
Blocpdb> 15 atoms in block 97
Block first atom: 1571
Blocpdb> 12 atoms in block 98
Block first atom: 1586
Blocpdb> 14 atoms in block 99
Block first atom: 1598
Blocpdb> 12 atoms in block 100
Block first atom: 1612
Blocpdb> 16 atoms in block 101
Block first atom: 1624
Blocpdb> 20 atoms in block 102
Block first atom: 1640
Blocpdb> 16 atoms in block 103
Block first atom: 1660
Blocpdb> 16 atoms in block 104
Block first atom: 1676
Blocpdb> 13 atoms in block 105
Block first atom: 1692
Blocpdb> 13 atoms in block 106
Block first atom: 1705
Blocpdb> 17 atoms in block 107
Block first atom: 1718
Blocpdb> 16 atoms in block 108
Block first atom: 1735
Blocpdb> 15 atoms in block 109
Block first atom: 1751
Blocpdb> 11 atoms in block 110
Block first atom: 1766
Blocpdb> 14 atoms in block 111
Block first atom: 1777
Blocpdb> 23 atoms in block 112
Block first atom: 1791
Blocpdb> 12 atoms in block 113
Block first atom: 1814
Blocpdb> 17 atoms in block 114
Block first atom: 1826
Blocpdb> 16 atoms in block 115
Block first atom: 1843
Blocpdb> 19 atoms in block 116
Block first atom: 1859
Blocpdb> 16 atoms in block 117
Block first atom: 1878
Blocpdb> 16 atoms in block 118
Block first atom: 1894
Blocpdb> 18 atoms in block 119
Block first atom: 1910
Blocpdb> 17 atoms in block 120
Block first atom: 1928
Blocpdb> 16 atoms in block 121
Block first atom: 1945
Blocpdb> 15 atoms in block 122
Block first atom: 1961
Blocpdb> 15 atoms in block 123
Block first atom: 1976
Blocpdb> 20 atoms in block 124
Block first atom: 1991
Blocpdb> 9 atoms in block 125
Block first atom: 2011
Blocpdb> 13 atoms in block 126
Block first atom: 2020
Blocpdb> 20 atoms in block 127
Block first atom: 2033
Blocpdb> 12 atoms in block 128
Block first atom: 2053
Blocpdb> 15 atoms in block 129
Block first atom: 2065
Blocpdb> 18 atoms in block 130
Block first atom: 2080
Blocpdb> 14 atoms in block 131
Block first atom: 2098
Blocpdb> 18 atoms in block 132
Block first atom: 2112
Blocpdb> 14 atoms in block 133
Block first atom: 2130
Blocpdb> 17 atoms in block 134
Block first atom: 2144
Blocpdb> 16 atoms in block 135
Block first atom: 2161
Blocpdb> 16 atoms in block 136
Block first atom: 2177
Blocpdb> 23 atoms in block 137
Block first atom: 2193
Blocpdb> 17 atoms in block 138
Block first atom: 2216
Blocpdb> 20 atoms in block 139
Block first atom: 2233
Blocpdb> 13 atoms in block 140
Block first atom: 2253
Blocpdb> 10 atoms in block 141
Block first atom: 2266
Blocpdb> 12 atoms in block 142
Block first atom: 2276
Blocpdb> 17 atoms in block 143
Block first atom: 2288
Blocpdb> 16 atoms in block 144
Block first atom: 2305
Blocpdb> 14 atoms in block 145
Block first atom: 2321
Blocpdb> 8 atoms in block 146
Block first atom: 2335
Blocpdb> 18 atoms in block 147
Block first atom: 2343
Blocpdb> 20 atoms in block 148
Block first atom: 2361
Blocpdb> 17 atoms in block 149
Block first atom: 2381
Blocpdb> 12 atoms in block 150
Block first atom: 2398
Blocpdb> 28 atoms in block 151
Block first atom: 2410
Blocpdb> 21 atoms in block 152
Block first atom: 2438
Blocpdb> 13 atoms in block 153
Block first atom: 2459
Blocpdb> 14 atoms in block 154
Block first atom: 2472
Blocpdb> 18 atoms in block 155
Block first atom: 2486
Blocpdb> 16 atoms in block 156
Block first atom: 2504
Blocpdb> 18 atoms in block 157
Block first atom: 2520
Blocpdb> 18 atoms in block 158
Block first atom: 2538
Blocpdb> 11 atoms in block 159
Block first atom: 2556
Blocpdb> 23 atoms in block 160
Block first atom: 2567
Blocpdb> 12 atoms in block 161
Block first atom: 2590
Blocpdb> 16 atoms in block 162
Block first atom: 2602
Blocpdb> 20 atoms in block 163
Block first atom: 2618
Blocpdb> 20 atoms in block 164
Block first atom: 2638
Blocpdb> 14 atoms in block 165
Block first atom: 2658
Blocpdb> 17 atoms in block 166
Block first atom: 2672
Blocpdb> 16 atoms in block 167
Block first atom: 2689
Blocpdb> 16 atoms in block 168
Block first atom: 2705
Blocpdb> 18 atoms in block 169
Block first atom: 2721
Blocpdb> 25 atoms in block 170
Block first atom: 2739
Blocpdb> 12 atoms in block 171
Block first atom: 2764
Blocpdb> 11 atoms in block 172
Block first atom: 2776
Blocpdb> 13 atoms in block 173
Block first atom: 2787
Blocpdb> 16 atoms in block 174
Block first atom: 2800
Blocpdb> 16 atoms in block 175
Block first atom: 2816
Blocpdb> 13 atoms in block 176
Block first atom: 2832
Blocpdb> 20 atoms in block 177
Block first atom: 2845
Blocpdb> 17 atoms in block 178
Block first atom: 2865
Blocpdb> 15 atoms in block 179
Block first atom: 2882
Blocpdb> 20 atoms in block 180
Block first atom: 2897
Blocpdb> 17 atoms in block 181
Block first atom: 2917
Blocpdb> 14 atoms in block 182
Block first atom: 2934
Blocpdb> 18 atoms in block 183
Block first atom: 2948
Blocpdb> 14 atoms in block 184
Block first atom: 2966
Blocpdb> 14 atoms in block 185
Block first atom: 2980
Blocpdb> 16 atoms in block 186
Block first atom: 2994
Blocpdb> 19 atoms in block 187
Block first atom: 3010
Blocpdb> 15 atoms in block 188
Block first atom: 3029
Blocpdb> 14 atoms in block 189
Block first atom: 3044
Blocpdb> 12 atoms in block 190
Block first atom: 3058
Blocpdb> 15 atoms in block 191
Block first atom: 3070
Blocpdb> 21 atoms in block 192
Block first atom: 3085
Blocpdb> 19 atoms in block 193
Block first atom: 3106
Blocpdb> 15 atoms in block 194
Block first atom: 3125
Blocpdb> 19 atoms in block 195
Block first atom: 3140
Blocpdb> 17 atoms in block 196
Block first atom: 3159
Blocpdb> 18 atoms in block 197
Block first atom: 3175
Blocpdb> 197 blocks.
Blocpdb> At most, 28 atoms in each of them.
Blocpdb> At least, 8 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> 1258326 matrix lines read.
Prepmat> Matrix order = 9579
Prepmat> Matrix trace = 2756280.0000
Prepmat> Last element read: 9579 9579 103.8017
Prepmat> 19504 lines saved.
Prepmat> 17145 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: 3193
RTB> Total mass = 3193.0000
RTB> Number of atoms found in matrix: 3193
RTB> Number of blocks = 197
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 290337.9214
RTB> 81922 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 = 1182
Diagstd> Nb of non-zero elements: 81922
Diagstd> Projected matrix trace = 290337.9214
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1182 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 290337.9214
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 3.5149938 4.1455957 5.3954182 6.6021921
7.2713176 8.4110888 8.8055201 10.3123075 10.4796126
11.6581704 12.1948988 12.3881624 12.9975176 13.8963821
15.0820013 15.6601146 16.0420516 16.8745351 17.6023967
17.6652367 18.7731088 19.5399831 20.4316547 21.2370489
21.8780870 22.5519721 23.1828070 24.6116427 25.6057332
25.7892176 26.0988163 27.7953931 28.6513428 29.3286417
29.6846211 29.9718817 31.0436714 31.3397404 32.3570779
32.6514632 32.9920996 33.6079919 35.2399543 35.6601559
36.2035139 36.7002590 36.9680682 37.5069675 38.0397328
39.6892064 40.1275795 40.4992500 41.0357225 41.8680468
42.3094717 42.5525609 43.6158447 44.2617376 45.1945539
45.5184865 46.4988112 46.6672501 47.4797195 47.8762137
48.9540799 49.6168165 50.5885383 50.9389508 50.9846889
52.2061423 52.3183301 53.5522570 53.7683110 55.3975897
55.7126010 56.0834742 56.5109657 57.6427676 59.1549156
59.4186688 60.1156953 60.4983715 60.8284148 61.5298500
62.0514641 62.6177190 63.4585941 63.5535412 63.7669906
65.0803583 65.5011896 65.7119446 65.9740525 66.7530482
67.3229171 68.0167998 68.7806707 69.2723342 69.4943065
70.1108363
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034339 0.0034346 0.0034348 0.0034351
0.0034368 203.5905254 221.1000056 252.2364448 279.0225850
292.8207428 314.9353338 322.2350571 348.7170708 351.5344522
370.7750312 379.2140156 382.2070780 391.4943404 404.8052665
421.7205527 429.7271061 434.9358781 446.0783942 455.5973431
456.4098519 470.5040644 480.0178328 490.8480276 500.4288780
507.9254257 515.6886146 522.8514184 538.7230788 549.4951817
551.4604403 554.7606977 572.5081725 581.2564309 588.0865614
591.6447775 594.5005831 605.0368402 607.9151655 617.7033084
620.5068842 623.7352050 629.5301905 644.6336153 648.4655355
653.3872310 657.8544928 660.2503781 665.0453422 669.7519842
684.1187406 687.8864616 691.0647976 695.6268268 702.6460847
706.3404565 708.3666907 717.1622555 722.4528517 730.0260071
732.6375718 740.4848974 741.8248638 748.2545263 751.3722970
759.7832698 764.9089247 772.3627960 775.0331490 775.3810221
784.6140516 785.4566429 794.6651541 796.2665597 808.2406978
810.5354189 813.2287702 816.3222702 824.4563977 835.2004119
837.0602891 841.9556536 844.6312048 846.9319757 851.8011234
855.4040398 859.2981997 865.0485913 865.6954952 867.1480281
876.0325595 878.8603550 880.2731188 882.0269626 887.2189951
890.9980283 895.5779193 900.5928265 903.8059400 905.2528334
909.2595142
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3193
Rtb_to_modes> Number of blocs = 197
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: 9.9936E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0016E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.515
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.146
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.395
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.602
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.271
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.411
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.806
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 10.31
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.48
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.66
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.19
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.39
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.08
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.66
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.04
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.87
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.43
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.55
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.18
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 25.61
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.79
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 26.10
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 27.80
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 28.65
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.33
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 29.68
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 29.97
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.04
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 31.34
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 32.36
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 32.99
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 33.61
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 35.24
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 35.66
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 36.20
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 36.70
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.97
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 37.51
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 38.04
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.69
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 40.13
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 40.50
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 41.04
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 41.87
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 42.31
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 42.55
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.62
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 44.26
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 45.19
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 45.52
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 46.50
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 47.48
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 47.88
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 48.95
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 49.62
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 50.59
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 50.94
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 50.98
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 52.21
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 52.32
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 53.77
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 55.40
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 55.71
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 56.08
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 56.51
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 57.64
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 59.15
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 59.42
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 60.12
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 60.50
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 60.83
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 61.53
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 62.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 62.62
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 63.46
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 63.55
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 63.77
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 65.08
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 65.50
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 65.71
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 65.97
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 66.75
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 67.32
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 68.02
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 68.78
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 69.27
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 69.49
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 70.11
Rtb_to_modes> 106 vectors, with 1182 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00003 1.00001 1.00001
1.00001 0.99999 0.99998 1.00001 0.99999
0.99999 0.99998 0.99999 1.00000 1.00001
1.00002 1.00000 1.00003 1.00001 1.00000
1.00000 0.99998 1.00000 1.00000 0.99999
1.00000 1.00000 1.00001 0.99998 1.00000
0.99998 1.00000 1.00000 0.99999 1.00001
1.00001 0.99999 1.00001 1.00003 1.00000
0.99999 1.00002 1.00000 1.00000 0.99999
1.00001 1.00000 1.00000 1.00000 1.00002
1.00000 0.99998 1.00001 0.99997 1.00001
1.00002 1.00000 0.99999 1.00001 1.00000
1.00001 0.99998 1.00000 0.99998 0.99999
0.99999 1.00001 1.00001 0.99999 0.99999
0.99999 1.00001 0.99998 0.99999 1.00000
1.00002 1.00000 0.99999 1.00000 0.99998
0.99999 0.99998 0.99999 1.00002 1.00000
1.00001 1.00000 1.00001 1.00001 0.99999
1.00000 1.00000 0.99999 1.00000 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 57474 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00003 1.00001 1.00001
1.00001 0.99999 0.99998 1.00001 0.99999
0.99999 0.99998 0.99999 1.00000 1.00001
1.00002 1.00000 1.00003 1.00001 1.00000
1.00000 0.99998 1.00000 1.00000 0.99999
1.00000 1.00000 1.00001 0.99998 1.00000
0.99998 1.00000 1.00000 0.99999 1.00001
1.00001 0.99999 1.00001 1.00003 1.00000
0.99999 1.00002 1.00000 1.00000 0.99999
1.00001 1.00000 1.00000 1.00000 1.00002
1.00000 0.99998 1.00001 0.99997 1.00001
1.00002 1.00000 0.99999 1.00001 1.00000
1.00001 0.99998 1.00000 0.99998 0.99999
0.99999 1.00001 1.00001 0.99999 0.99999
0.99999 1.00001 0.99998 0.99999 1.00000
1.00002 1.00000 0.99999 1.00000 0.99998
0.99999 0.99998 0.99999 1.00002 1.00000
1.00001 1.00000 1.00001 1.00001 0.99999
1.00000 1.00000 0.99999 1.00000 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
0.99999
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> 2403291746071456436.eigenfacs
Openam> file on opening on unit 10:
2403291746071456436.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403291746071456436.atom
Openam> file on opening on unit 11:
2403291746071456436.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 = 394
First residue number = 1
Last residue number = 394
Number of atoms found = 3193
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: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 25.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 26.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 27.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 29.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 29.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 31.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 32.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 32.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 33.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 35.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 35.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 36.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 36.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 37.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 38.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 40.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 40.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 41.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 41.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 42.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 42.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 44.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 45.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 45.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 46.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 47.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 47.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 48.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 49.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 50.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 50.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 50.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 52.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 52.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 53.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 55.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 55.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 56.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 56.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 57.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 59.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 59.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 60.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 60.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 60.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 61.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 62.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 62.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 63.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 63.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 63.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 65.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 65.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 65.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 65.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 66.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 67.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 68.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 68.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 69.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 69.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 70.11
Bfactors> 106 vectors, 9579 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 : 3.515000
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= -0.564 for 394 C-alpha atoms.
Bfactors> = 0.018 +/- 0.02
Bfactors> = 96.084 +/- 6.05
Bfactors> Shiftng-fct= 96.066
Bfactors> Scaling-fct= 249.328
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403291746071456436 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=0
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=100
2403291746071456436.eigenfacs
2403291746071456436.atom
making animated gifs
11 models are in 2403291746071456436.7.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 2403291746071456436.7.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 2403291746071456436.7.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 2403291746071456436 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=0
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=100
2403291746071456436.eigenfacs
2403291746071456436.atom
making animated gifs
11 models are in 2403291746071456436.8.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 2403291746071456436.8.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 2403291746071456436.8.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 2403291746071456436 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=0
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=100
2403291746071456436.eigenfacs
2403291746071456436.atom
making animated gifs
11 models are in 2403291746071456436.9.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 2403291746071456436.9.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 2403291746071456436.9.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 2403291746071456436 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=0
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=100
2403291746071456436.eigenfacs
2403291746071456436.atom
making animated gifs
11 models are in 2403291746071456436.10.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 2403291746071456436.10.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 2403291746071456436.10.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 2403291746071456436 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=-20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=0
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=20
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=40
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=60
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=80
2403291746071456436.eigenfacs
2403291746071456436.atom
calculating perturbed structure for DQ=100
2403291746071456436.eigenfacs
2403291746071456436.atom
making animated gifs
11 models are in 2403291746071456436.11.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 2403291746071456436.11.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 2403291746071456436.11.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
2403291746071456436.10.pdb
2403291746071456436.11.pdb
2403291746071456436.7.pdb
2403291746071456436.8.pdb
2403291746071456436.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.418s
user 0m25.350s
sys 0m0.048s
../../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: 2403291746071456436.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
