*** CELL ADHESION 26-OCT-17 6BFI ***
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 = 2403190753153850494.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 2403190753153850494.atom to be opened.
Openam> File opened: 2403190753153850494.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 = 1611
First residue number = 1
Last residue number = 836
Number of atoms found = 12230
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= -40.041465 +/- 15.674810 From: -79.278000 To: 0.876000
= -11.386337 +/- 26.710100 From: -71.816000 To: 48.902000
= -51.771547 +/- 24.260198 From: -108.130000 To: 3.703000
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 0.6689 % Filled.
Pdbmat> 4502589 non-zero elements.
Pdbmat> 492211 atom-atom interactions.
Pdbmat> Number per atom= 80.49 +/- 19.77
Maximum number = 128
Minimum number = 8
Pdbmat> Matrix trace = 9.844220E+06
Pdbmat> Larger element = 505.397
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1611 non-zero elements, NRBL set to 9
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 = 2403190753153850494.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 9
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 2403190753153850494.atom to be opened.
Openam> file on opening on unit 11:
2403190753153850494.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 12230 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 9 residue(s) per block.
Blocpdb> 1611 residues.
Blocpdb> 75 atoms in block 1
Block first atom: 1
Blocpdb> 65 atoms in block 2
Block first atom: 76
Blocpdb> 72 atoms in block 3
Block first atom: 141
Blocpdb> 68 atoms in block 4
Block first atom: 213
Blocpdb> 72 atoms in block 5
Block first atom: 281
Blocpdb> 58 atoms in block 6
Block first atom: 353
Blocpdb> 63 atoms in block 7
Block first atom: 411
Blocpdb> 71 atoms in block 8
Block first atom: 474
Blocpdb> 70 atoms in block 9
Block first atom: 545
Blocpdb> 68 atoms in block 10
Block first atom: 615
Blocpdb> 68 atoms in block 11
Block first atom: 683
Blocpdb> 67 atoms in block 12
Block first atom: 751
Blocpdb> 63 atoms in block 13
Block first atom: 818
Blocpdb> 61 atoms in block 14
Block first atom: 881
Blocpdb> 76 atoms in block 15
Block first atom: 942
Blocpdb> 76 atoms in block 16
Block first atom: 1018
Blocpdb> 67 atoms in block 17
Block first atom: 1094
Blocpdb> 70 atoms in block 18
Block first atom: 1161
Blocpdb> 63 atoms in block 19
Block first atom: 1231
Blocpdb> 77 atoms in block 20
Block first atom: 1294
Blocpdb> 69 atoms in block 21
Block first atom: 1371
Blocpdb> 66 atoms in block 22
Block first atom: 1440
Blocpdb> 85 atoms in block 23
Block first atom: 1506
Blocpdb> 67 atoms in block 24
Block first atom: 1591
Blocpdb> 24 atoms in block 25
Block first atom: 1658
Blocpdb> 60 atoms in block 26
Block first atom: 1682
Blocpdb> 83 atoms in block 27
Block first atom: 1742
Blocpdb> 73 atoms in block 28
Block first atom: 1825
Blocpdb> 75 atoms in block 29
Block first atom: 1898
Blocpdb> 9 atoms in block 30
Block first atom: 1973
Blocpdb> 58 atoms in block 31
Block first atom: 1982
Blocpdb> 70 atoms in block 32
Block first atom: 2040
Blocpdb> 64 atoms in block 33
Block first atom: 2110
Blocpdb> 69 atoms in block 34
Block first atom: 2174
Blocpdb> 61 atoms in block 35
Block first atom: 2243
Blocpdb> 72 atoms in block 36
Block first atom: 2304
Blocpdb> 65 atoms in block 37
Block first atom: 2376
Blocpdb> 74 atoms in block 38
Block first atom: 2441
Blocpdb> 64 atoms in block 39
Block first atom: 2515
Blocpdb> 61 atoms in block 40
Block first atom: 2579
Blocpdb> 78 atoms in block 41
Block first atom: 2640
Blocpdb> 70 atoms in block 42
Block first atom: 2718
Blocpdb> 63 atoms in block 43
Block first atom: 2788
Blocpdb> 65 atoms in block 44
Block first atom: 2851
Blocpdb> 67 atoms in block 45
Block first atom: 2916
Blocpdb> 70 atoms in block 46
Block first atom: 2983
Blocpdb> 71 atoms in block 47
Block first atom: 3053
Blocpdb> 61 atoms in block 48
Block first atom: 3124
Blocpdb> 50 atoms in block 49
Block first atom: 3185
Blocpdb> 73 atoms in block 50
Block first atom: 3235
Blocpdb> 66 atoms in block 51
Block first atom: 3308
Blocpdb> 67 atoms in block 52
Block first atom: 3374
Blocpdb> 68 atoms in block 53
Block first atom: 3441
Blocpdb> 83 atoms in block 54
Block first atom: 3509
Blocpdb> 61 atoms in block 55
Block first atom: 3592
Blocpdb> 69 atoms in block 56
Block first atom: 3653
Blocpdb> 72 atoms in block 57
Block first atom: 3722
Blocpdb> 71 atoms in block 58
Block first atom: 3794
Blocpdb> 67 atoms in block 59
Block first atom: 3865
Blocpdb> 59 atoms in block 60
Block first atom: 3932
Blocpdb> 83 atoms in block 61
Block first atom: 3991
Blocpdb> 66 atoms in block 62
Block first atom: 4074
Blocpdb> 70 atoms in block 63
Block first atom: 4140
Blocpdb> 60 atoms in block 64
Block first atom: 4210
Blocpdb> 67 atoms in block 65
Block first atom: 4270
Blocpdb> 65 atoms in block 66
Block first atom: 4337
Blocpdb> 74 atoms in block 67
Block first atom: 4402
Blocpdb> 61 atoms in block 68
Block first atom: 4476
Blocpdb> 69 atoms in block 69
Block first atom: 4537
Blocpdb> 75 atoms in block 70
Block first atom: 4606
Blocpdb> 10 atoms in block 71
Block first atom: 4681
Blocpdb> 69 atoms in block 72
Block first atom: 4691
Blocpdb> 70 atoms in block 73
Block first atom: 4760
Blocpdb> 74 atoms in block 74
Block first atom: 4830
Blocpdb> 67 atoms in block 75
Block first atom: 4904
Blocpdb> 77 atoms in block 76
Block first atom: 4971
Blocpdb> 71 atoms in block 77
Block first atom: 5048
Blocpdb> 72 atoms in block 78
Block first atom: 5119
Blocpdb> 30 atoms in block 79
Block first atom: 5191
Blocpdb> 68 atoms in block 80
Block first atom: 5221
Blocpdb> 66 atoms in block 81
Block first atom: 5289
Blocpdb> 75 atoms in block 82
Block first atom: 5355
Blocpdb> 65 atoms in block 83
Block first atom: 5430
Blocpdb> 73 atoms in block 84
Block first atom: 5495
Blocpdb> 71 atoms in block 85
Block first atom: 5568
Blocpdb> 65 atoms in block 86
Block first atom: 5639
Blocpdb> 55 atoms in block 87
Block first atom: 5704
Blocpdb> 64 atoms in block 88
Block first atom: 5759
Blocpdb> 68 atoms in block 89
Block first atom: 5823
Blocpdb> 70 atoms in block 90
Block first atom: 5891
Blocpdb> 69 atoms in block 91
Block first atom: 5961
Blocpdb> 73 atoms in block 92
Block first atom: 6030
Blocpdb> 22 atoms in block 93
Block first atom: 6103
Blocpdb> 75 atoms in block 94
Block first atom: 6125
Blocpdb> 65 atoms in block 95
Block first atom: 6200
Blocpdb> 72 atoms in block 96
Block first atom: 6265
Blocpdb> 68 atoms in block 97
Block first atom: 6337
Blocpdb> 72 atoms in block 98
Block first atom: 6405
Blocpdb> 58 atoms in block 99
Block first atom: 6477
Blocpdb> 63 atoms in block 100
Block first atom: 6535
Blocpdb> 71 atoms in block 101
Block first atom: 6598
Blocpdb> 70 atoms in block 102
Block first atom: 6669
Blocpdb> 68 atoms in block 103
Block first atom: 6739
Blocpdb> 68 atoms in block 104
Block first atom: 6807
Blocpdb> 67 atoms in block 105
Block first atom: 6875
Blocpdb> 63 atoms in block 106
Block first atom: 6942
Blocpdb> 61 atoms in block 107
Block first atom: 7005
Blocpdb> 76 atoms in block 108
Block first atom: 7066
Blocpdb> 76 atoms in block 109
Block first atom: 7142
Blocpdb> 67 atoms in block 110
Block first atom: 7218
Blocpdb> 70 atoms in block 111
Block first atom: 7285
Blocpdb> 63 atoms in block 112
Block first atom: 7355
Blocpdb> 77 atoms in block 113
Block first atom: 7418
Blocpdb> 69 atoms in block 114
Block first atom: 7495
Blocpdb> 66 atoms in block 115
Block first atom: 7564
Blocpdb> 74 atoms in block 116
Block first atom: 7630
Blocpdb> 67 atoms in block 117
Block first atom: 7704
Blocpdb> 7 atoms in block 118
Block first atom: 7771
Blocpdb> 55 atoms in block 119
Block first atom: 7778
Blocpdb> 79 atoms in block 120
Block first atom: 7833
Blocpdb> 74 atoms in block 121
Block first atom: 7912
Blocpdb> 75 atoms in block 122
Block first atom: 7986
Blocpdb> 27 atoms in block 123
Block first atom: 8061
Blocpdb> 58 atoms in block 124
Block first atom: 8088
Blocpdb> 70 atoms in block 125
Block first atom: 8146
Blocpdb> 64 atoms in block 126
Block first atom: 8216
Blocpdb> 69 atoms in block 127
Block first atom: 8280
Blocpdb> 61 atoms in block 128
Block first atom: 8349
Blocpdb> 72 atoms in block 129
Block first atom: 8410
Blocpdb> 65 atoms in block 130
Block first atom: 8482
Blocpdb> 74 atoms in block 131
Block first atom: 8547
Blocpdb> 64 atoms in block 132
Block first atom: 8621
Blocpdb> 61 atoms in block 133
Block first atom: 8685
Blocpdb> 78 atoms in block 134
Block first atom: 8746
Blocpdb> 70 atoms in block 135
Block first atom: 8824
Blocpdb> 63 atoms in block 136
Block first atom: 8894
Blocpdb> 65 atoms in block 137
Block first atom: 8957
Blocpdb> 67 atoms in block 138
Block first atom: 9022
Blocpdb> 70 atoms in block 139
Block first atom: 9089
Blocpdb> 71 atoms in block 140
Block first atom: 9159
Blocpdb> 61 atoms in block 141
Block first atom: 9230
Blocpdb> 50 atoms in block 142
Block first atom: 9291
Blocpdb> 73 atoms in block 143
Block first atom: 9341
Blocpdb> 66 atoms in block 144
Block first atom: 9414
Blocpdb> 67 atoms in block 145
Block first atom: 9480
Blocpdb> 68 atoms in block 146
Block first atom: 9547
Blocpdb> 83 atoms in block 147
Block first atom: 9615
Blocpdb> 61 atoms in block 148
Block first atom: 9698
Blocpdb> 69 atoms in block 149
Block first atom: 9759
Blocpdb> 72 atoms in block 150
Block first atom: 9828
Blocpdb> 71 atoms in block 151
Block first atom: 9900
Blocpdb> 67 atoms in block 152
Block first atom: 9971
Blocpdb> 59 atoms in block 153
Block first atom: 10038
Blocpdb> 75 atoms in block 154
Block first atom: 10097
Blocpdb> 66 atoms in block 155
Block first atom: 10172
Blocpdb> 70 atoms in block 156
Block first atom: 10238
Blocpdb> 60 atoms in block 157
Block first atom: 10308
Blocpdb> 67 atoms in block 158
Block first atom: 10368
Blocpdb> 65 atoms in block 159
Block first atom: 10435
Blocpdb> 74 atoms in block 160
Block first atom: 10500
Blocpdb> 61 atoms in block 161
Block first atom: 10574
Blocpdb> 69 atoms in block 162
Block first atom: 10635
Blocpdb> 75 atoms in block 163
Block first atom: 10704
Blocpdb> 10 atoms in block 164
Block first atom: 10779
Blocpdb> 68 atoms in block 165
Block first atom: 10789
Blocpdb> 72 atoms in block 166
Block first atom: 10857
Blocpdb> 76 atoms in block 167
Block first atom: 10929
Blocpdb> 64 atoms in block 168
Block first atom: 11005
Blocpdb> 77 atoms in block 169
Block first atom: 11069
Blocpdb> 68 atoms in block 170
Block first atom: 11146
Blocpdb> 76 atoms in block 171
Block first atom: 11214
Blocpdb> 37 atoms in block 172
Block first atom: 11290
Blocpdb> 68 atoms in block 173
Block first atom: 11327
Blocpdb> 66 atoms in block 174
Block first atom: 11395
Blocpdb> 75 atoms in block 175
Block first atom: 11461
Blocpdb> 65 atoms in block 176
Block first atom: 11536
Blocpdb> 73 atoms in block 177
Block first atom: 11601
Blocpdb> 71 atoms in block 178
Block first atom: 11674
Blocpdb> 65 atoms in block 179
Block first atom: 11745
Blocpdb> 55 atoms in block 180
Block first atom: 11810
Blocpdb> 64 atoms in block 181
Block first atom: 11865
Blocpdb> 68 atoms in block 182
Block first atom: 11929
Blocpdb> 70 atoms in block 183
Block first atom: 11997
Blocpdb> 69 atoms in block 184
Block first atom: 12067
Blocpdb> 73 atoms in block 185
Block first atom: 12136
Blocpdb> 22 atoms in block 186
Block first atom: 12208
Blocpdb> 186 blocks.
Blocpdb> At most, 85 atoms in each of them.
Blocpdb> At least, 7 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> 4502775 matrix lines read.
Prepmat> Matrix order = 36690
Prepmat> Matrix trace = 9844220.0000
Prepmat> Last element read: 36690 36690 118.3720
Prepmat> 17392 lines saved.
Prepmat> 16083 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: 12230
RTB> Total mass = 12230.0000
RTB> Number of atoms found in matrix: 12230
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 161834.6646
RTB> 44298 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 = 1116
Diagstd> Nb of non-zero elements: 44298
Diagstd> Projected matrix trace = 161834.6646
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 161834.6646
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 0.2808112 0.3830140 0.5249622 0.6305205
0.7385181 0.8526168 0.9394363 1.1136397 1.3061127
1.5058532 1.6817005 1.8196982 2.0843685 2.1826797
2.2970151 2.4881821 2.8756146 3.0520485 3.2941157
3.3663899 3.5266776 3.7143123 4.1511102 4.4372093
4.5969592 4.6562531 4.8586730 5.0738572 5.5931575
6.5141169 6.6587943 6.7572060 6.8077864 7.5161364
7.7118848 7.9572888 8.3029679 8.3334154 8.4313146
9.1012353 9.2058173 9.8085439 9.9575964 10.2395529
10.8752876 11.0955547 11.3226910 11.5923097 12.1641070
12.2405411 12.5156230 12.9069264 13.2189025 13.9581314
14.0423213 14.4773788 14.8855504 15.1374895 15.5058176
15.9955734 16.0213710 16.2692355 16.3483396 16.5372091
16.7469026 17.3639955 17.6302807 17.8909252 18.3403757
18.7117834 18.9793760 19.1240979 19.5168868 19.6982343
19.9180193 20.2872104 20.6525850 20.9362954 21.3557665
21.6599771 22.0493451 22.4996811 23.4521768 23.5426742
24.0504244 24.3888245 24.7448208 25.4454249 26.0251470
26.2576043 26.6782770 26.8936269 27.3026627 27.4435183
27.9213577 28.4845839 28.8075639 28.9049764 29.2457923
29.5992060
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034325 0.0034331 0.0034334 0.0034337
0.0034353 57.5443234 67.2051565 78.6790837 86.2273207
93.3202396 100.2702797 105.2516587 114.5955201 124.1039514
133.2559472 140.8217084 146.4856103 156.7770644 160.4317376
164.5800552 171.2917173 184.1452910 189.7103362 197.0900510
199.2404371 203.9286109 209.2832573 221.2470094 228.7442774
232.8255323 234.3222718 239.3614002 244.6044759 256.8170205
277.1552140 280.2160972 282.2791891 283.3337057 297.7094413
301.5612584 306.3217535 312.9046081 313.4778035 315.3137633
327.6011758 329.4780272 340.0928890 342.6672035 347.4847717
358.1093459 361.7177238 365.4013172 369.7262340 378.7349601
379.9230026 384.1682912 390.1276185 394.8143956 405.7036555
406.9253387 413.1809115 418.9649856 422.4956175 427.6048436
434.3053581 434.6554398 438.0047831 439.0683228 441.5972796
444.3882091 452.5015936 455.9580570 459.3161129 465.0497278
469.7349468 473.0818048 474.8820562 479.7340583 481.9577076
484.6389947 489.1098932 493.4946956 496.8727727 501.8256573
505.3872445 509.9095292 515.0904073 525.8802492 526.8939069
532.5454187 536.2789059 540.1786772 547.7723850 553.9771810
556.4457507 560.8854437 563.1446575 567.4110410 568.8728068
573.8039675 579.5624238 582.8389236 583.8235240 587.2553420
590.7929589
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 12230
Rtb_to_modes> Number of blocs = 186
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: 9.9886E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2808
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3830
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.5250
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.6305
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.7385
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.8526
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.9394
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.114
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.306
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.506
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.682
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.820
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.084
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.183
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.297
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.488
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.876
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.052
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.294
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.366
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.527
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.714
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.151
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.437
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.597
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.656
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.859
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.074
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.593
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.514
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.659
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.757
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.808
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.516
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.712
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 7.957
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.303
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 8.333
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 8.431
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.101
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 9.206
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.809
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 9.958
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 10.24
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 11.10
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 11.32
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.59
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 12.16
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 12.24
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 12.52
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 12.91
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 13.22
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 13.96
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 14.04
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 14.48
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 14.89
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 15.14
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 15.51
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 16.00
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 16.27
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 16.35
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 16.54
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 16.75
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 17.36
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 17.63
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 19.12
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 19.52
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 19.70
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 19.92
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 20.29
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 20.94
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 21.66
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 23.54
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 24.39
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 24.74
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 25.45
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 26.03
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 26.26
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 26.68
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 26.89
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 27.30
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 27.44
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 27.92
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 28.48
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 28.81
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 28.90
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 29.25
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 29.60
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 1.00000
1.00000 1.00001 0.99999 0.99998 1.00001
0.99998 0.99999 1.00000 1.00000 1.00002
1.00001 0.99999 1.00000 0.99998 1.00003
1.00002 0.99999 1.00001 1.00001 1.00002
1.00002 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 1.00000 0.99999 1.00001
1.00000 1.00001 1.00001 0.99999 0.99999
0.99999 1.00001 1.00001 0.99997 1.00002
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 1.00002 1.00000
1.00001 1.00001 1.00002 1.00003 1.00000
1.00000 0.99997 1.00002 0.99998 1.00000
0.99999 1.00002 1.00000 0.99999 1.00001
1.00004 0.99999 0.99999 1.00001 0.99999
0.99999 1.00000 1.00000 0.99995 1.00000
0.99998 1.00001 1.00002 1.00000 1.00001
0.99999 1.00001 1.00001 1.00001 0.99997
1.00001 1.00000 0.99999 1.00000 0.99998
1.00001 1.00001 0.99999 0.99999 1.00000
1.00001 1.00000 1.00004 1.00000 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 220140 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 1.00000
1.00000 1.00001 0.99999 0.99998 1.00001
0.99998 0.99999 1.00000 1.00000 1.00002
1.00001 0.99999 1.00000 0.99998 1.00003
1.00002 0.99999 1.00001 1.00001 1.00002
1.00002 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 1.00000 0.99999 1.00001
1.00000 1.00001 1.00001 0.99999 0.99999
0.99999 1.00001 1.00001 0.99997 1.00002
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 1.00002 1.00000
1.00001 1.00001 1.00002 1.00003 1.00000
1.00000 0.99997 1.00002 0.99998 1.00000
0.99999 1.00002 1.00000 0.99999 1.00001
1.00004 0.99999 0.99999 1.00001 0.99999
0.99999 1.00000 1.00000 0.99995 1.00000
0.99998 1.00001 1.00002 1.00000 1.00001
0.99999 1.00001 1.00001 1.00001 0.99997
1.00001 1.00000 0.99999 1.00000 0.99998
1.00001 1.00001 0.99999 0.99999 1.00000
1.00001 1.00000 1.00004 1.00000 1.00000
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> 2403190753153850494.eigenfacs
Openam> file on opening on unit 10:
2403190753153850494.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403190753153850494.atom
Openam> file on opening on unit 11:
2403190753153850494.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 = 1611
First residue number = 1
Last residue number = 836
Number of atoms found = 12230
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9886E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8526
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 12.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 13.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 14.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 15.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 16.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 16.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 17.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 17.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 19.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 19.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 20.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 21.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 23.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 24.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 24.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 25.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 26.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 26.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 26.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 26.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 27.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 27.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 27.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 28.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 28.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 28.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 29.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 29.60
Bfactors> 106 vectors, 36690 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 : 0.280800
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= 0.559 for 1613 C-alpha atoms.
Bfactors> = 0.033 +/- 0.03
Bfactors> = 74.249 +/- 21.49
Bfactors> Shiftng-fct= 74.216
Bfactors> Scaling-fct= 733.360
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403190753153850494 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=0
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=100
2403190753153850494.eigenfacs
2403190753153850494.atom
making animated gifs
11 models are in 2403190753153850494.7.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 2403190753153850494.7.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 2403190753153850494.7.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 2403190753153850494 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=0
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=100
2403190753153850494.eigenfacs
2403190753153850494.atom
making animated gifs
11 models are in 2403190753153850494.8.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 2403190753153850494.8.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 2403190753153850494.8.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 2403190753153850494 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=0
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=100
2403190753153850494.eigenfacs
2403190753153850494.atom
making animated gifs
11 models are in 2403190753153850494.9.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 2403190753153850494.9.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 2403190753153850494.9.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 2403190753153850494 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=0
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=100
2403190753153850494.eigenfacs
2403190753153850494.atom
making animated gifs
11 models are in 2403190753153850494.10.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 2403190753153850494.10.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 2403190753153850494.10.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 2403190753153850494 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=-20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=0
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=20
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=40
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=60
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=80
2403190753153850494.eigenfacs
2403190753153850494.atom
calculating perturbed structure for DQ=100
2403190753153850494.eigenfacs
2403190753153850494.atom
making animated gifs
11 models are in 2403190753153850494.11.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 2403190753153850494.11.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 2403190753153850494.11.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
2403190753153850494.10.pdb
2403190753153850494.11.pdb
2403190753153850494.7.pdb
2403190753153850494.8.pdb
2403190753153850494.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m10.515s
user 1m10.270s
sys 0m0.212s
../../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: 2403190753153850494.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.
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