*** MEMBRANE PROTEIN 08-DEC-22 XXXX ***
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 = 2402030016551323968.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 2402030016551323968.atom to be opened.
Openam> File opened: 2402030016551323968.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 = 3098
First residue number = 2
Last residue number = 1033
Number of atoms found = 23482
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 0.843076 +/- 22.514561 From: -52.938000 To: 57.184000
= -0.068779 +/- 22.499657 From: -48.480000 To: 53.821000
= 29.431804 +/- 31.715081 From: -33.149000 To: 98.411000
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 2.7505 % Filled.
Pdbmat> 9183070 non-zero elements.
Pdbmat> 1004847 atom-atom interactions.
Pdbmat> Number per atom= 85.58 +/- 19.54
Maximum number = 132
Minimum number = 11
Pdbmat> Matrix trace = 2.009694E+07
Pdbmat> Larger element = 504.475
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
3098 non-zero elements, NRBL set to 16
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 = 2402030016551323968.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 16
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 2402030016551323968.atom to be opened.
Openam> file on opening on unit 11:
2402030016551323968.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 23482 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 16 residue(s) per block.
Blocpdb> 3098 residues.
Blocpdb> 137 atoms in block 1
Block first atom: 1
Blocpdb> 111 atoms in block 2
Block first atom: 138
Blocpdb> 121 atoms in block 3
Block first atom: 249
Blocpdb> 114 atoms in block 4
Block first atom: 370
Blocpdb> 128 atoms in block 5
Block first atom: 484
Blocpdb> 108 atoms in block 6
Block first atom: 612
Blocpdb> 122 atoms in block 7
Block first atom: 720
Blocpdb> 119 atoms in block 8
Block first atom: 842
Blocpdb> 116 atoms in block 9
Block first atom: 961
Blocpdb> 119 atoms in block 10
Block first atom: 1077
Blocpdb> 117 atoms in block 11
Block first atom: 1196
Blocpdb> 136 atoms in block 12
Block first atom: 1313
Blocpdb> 121 atoms in block 13
Block first atom: 1449
Blocpdb> 105 atoms in block 14
Block first atom: 1570
Blocpdb> 121 atoms in block 15
Block first atom: 1675
Blocpdb> 125 atoms in block 16
Block first atom: 1796
Blocpdb> 123 atoms in block 17
Block first atom: 1921
Blocpdb> 116 atoms in block 18
Block first atom: 2044
Blocpdb> 104 atoms in block 19
Block first atom: 2160
Blocpdb> 126 atoms in block 20
Block first atom: 2264
Blocpdb> 133 atoms in block 21
Block first atom: 2390
Blocpdb> 128 atoms in block 22
Block first atom: 2523
Blocpdb> 135 atoms in block 23
Block first atom: 2651
Blocpdb> 109 atoms in block 24
Block first atom: 2786
Blocpdb> 121 atoms in block 25
Block first atom: 2895
Blocpdb> 118 atoms in block 26
Block first atom: 3016
Blocpdb> 125 atoms in block 27
Block first atom: 3134
Blocpdb> 108 atoms in block 28
Block first atom: 3259
Blocpdb> 109 atoms in block 29
Block first atom: 3367
Blocpdb> 125 atoms in block 30
Block first atom: 3476
Blocpdb> 112 atoms in block 31
Block first atom: 3601
Blocpdb> 106 atoms in block 32
Block first atom: 3713
Blocpdb> 146 atoms in block 33
Block first atom: 3819
Blocpdb> 129 atoms in block 34
Block first atom: 3965
Blocpdb> 125 atoms in block 35
Block first atom: 4094
Blocpdb> 126 atoms in block 36
Block first atom: 4219
Blocpdb> 122 atoms in block 37
Block first atom: 4345
Blocpdb> 137 atoms in block 38
Block first atom: 4467
Blocpdb> 110 atoms in block 39
Block first atom: 4604
Blocpdb> 131 atoms in block 40
Block first atom: 4714
Blocpdb> 124 atoms in block 41
Block first atom: 4845
Blocpdb> 120 atoms in block 42
Block first atom: 4969
Blocpdb> 115 atoms in block 43
Block first atom: 5089
Blocpdb> 127 atoms in block 44
Block first atom: 5204
Blocpdb> 119 atoms in block 45
Block first atom: 5331
Blocpdb> 129 atoms in block 46
Block first atom: 5450
Blocpdb> 113 atoms in block 47
Block first atom: 5579
Blocpdb> 127 atoms in block 48
Block first atom: 5692
Blocpdb> 135 atoms in block 49
Block first atom: 5819
Blocpdb> 127 atoms in block 50
Block first atom: 5954
Blocpdb> 137 atoms in block 51
Block first atom: 6081
Blocpdb> 112 atoms in block 52
Block first atom: 6218
Blocpdb> 113 atoms in block 53
Block first atom: 6330
Blocpdb> 126 atoms in block 54
Block first atom: 6443
Blocpdb> 118 atoms in block 55
Block first atom: 6569
Blocpdb> 127 atoms in block 56
Block first atom: 6687
Blocpdb> 112 atoms in block 57
Block first atom: 6814
Blocpdb> 124 atoms in block 58
Block first atom: 6926
Blocpdb> 114 atoms in block 59
Block first atom: 7050
Blocpdb> 127 atoms in block 60
Block first atom: 7164
Blocpdb> 128 atoms in block 61
Block first atom: 7291
Blocpdb> 111 atoms in block 62
Block first atom: 7419
Blocpdb> 91 atoms in block 63
Block first atom: 7530
Blocpdb> 128 atoms in block 64
Block first atom: 7621
Blocpdb> 71 atoms in block 65
Block first atom: 7749
Blocpdb> 137 atoms in block 66
Block first atom: 7820
Blocpdb> 114 atoms in block 67
Block first atom: 7957
Blocpdb> 114 atoms in block 68
Block first atom: 8071
Blocpdb> 118 atoms in block 69
Block first atom: 8185
Blocpdb> 128 atoms in block 70
Block first atom: 8303
Blocpdb> 112 atoms in block 71
Block first atom: 8431
Blocpdb> 118 atoms in block 72
Block first atom: 8543
Blocpdb> 120 atoms in block 73
Block first atom: 8661
Blocpdb> 116 atoms in block 74
Block first atom: 8781
Blocpdb> 118 atoms in block 75
Block first atom: 8897
Blocpdb> 117 atoms in block 76
Block first atom: 9015
Blocpdb> 136 atoms in block 77
Block first atom: 9132
Blocpdb> 124 atoms in block 78
Block first atom: 9268
Blocpdb> 103 atoms in block 79
Block first atom: 9392
Blocpdb> 121 atoms in block 80
Block first atom: 9495
Blocpdb> 128 atoms in block 81
Block first atom: 9616
Blocpdb> 118 atoms in block 82
Block first atom: 9744
Blocpdb> 117 atoms in block 83
Block first atom: 9862
Blocpdb> 107 atoms in block 84
Block first atom: 9979
Blocpdb> 123 atoms in block 85
Block first atom: 10086
Blocpdb> 133 atoms in block 86
Block first atom: 10209
Blocpdb> 128 atoms in block 87
Block first atom: 10342
Blocpdb> 136 atoms in block 88
Block first atom: 10470
Blocpdb> 111 atoms in block 89
Block first atom: 10606
Blocpdb> 121 atoms in block 90
Block first atom: 10717
Blocpdb> 114 atoms in block 91
Block first atom: 10838
Blocpdb> 125 atoms in block 92
Block first atom: 10952
Blocpdb> 109 atoms in block 93
Block first atom: 11077
Blocpdb> 112 atoms in block 94
Block first atom: 11186
Blocpdb> 124 atoms in block 95
Block first atom: 11298
Blocpdb> 110 atoms in block 96
Block first atom: 11422
Blocpdb> 119 atoms in block 97
Block first atom: 11532
Blocpdb> 144 atoms in block 98
Block first atom: 11651
Blocpdb> 127 atoms in block 99
Block first atom: 11795
Blocpdb> 127 atoms in block 100
Block first atom: 11922
Blocpdb> 124 atoms in block 101
Block first atom: 12049
Blocpdb> 122 atoms in block 102
Block first atom: 12173
Blocpdb> 134 atoms in block 103
Block first atom: 12295
Blocpdb> 113 atoms in block 104
Block first atom: 12429
Blocpdb> 131 atoms in block 105
Block first atom: 12542
Blocpdb> 124 atoms in block 106
Block first atom: 12673
Blocpdb> 124 atoms in block 107
Block first atom: 12797
Blocpdb> 115 atoms in block 108
Block first atom: 12921
Blocpdb> 128 atoms in block 109
Block first atom: 13036
Blocpdb> 117 atoms in block 110
Block first atom: 13164
Blocpdb> 133 atoms in block 111
Block first atom: 13281
Blocpdb> 104 atoms in block 112
Block first atom: 13414
Blocpdb> 132 atoms in block 113
Block first atom: 13518
Blocpdb> 136 atoms in block 114
Block first atom: 13650
Blocpdb> 129 atoms in block 115
Block first atom: 13786
Blocpdb> 132 atoms in block 116
Block first atom: 13915
Blocpdb> 119 atoms in block 117
Block first atom: 14047
Blocpdb> 108 atoms in block 118
Block first atom: 14166
Blocpdb> 126 atoms in block 119
Block first atom: 14274
Blocpdb> 119 atoms in block 120
Block first atom: 14400
Blocpdb> 128 atoms in block 121
Block first atom: 14519
Blocpdb> 111 atoms in block 122
Block first atom: 14647
Blocpdb> 128 atoms in block 123
Block first atom: 14758
Blocpdb> 111 atoms in block 124
Block first atom: 14886
Blocpdb> 125 atoms in block 125
Block first atom: 14997
Blocpdb> 130 atoms in block 126
Block first atom: 15122
Blocpdb> 114 atoms in block 127
Block first atom: 15252
Blocpdb> 91 atoms in block 128
Block first atom: 15366
Blocpdb> 121 atoms in block 129
Block first atom: 15457
Blocpdb> 82 atoms in block 130
Block first atom: 15578
Blocpdb> 137 atoms in block 131
Block first atom: 15660
Blocpdb> 114 atoms in block 132
Block first atom: 15797
Blocpdb> 114 atoms in block 133
Block first atom: 15911
Blocpdb> 118 atoms in block 134
Block first atom: 16025
Blocpdb> 128 atoms in block 135
Block first atom: 16143
Blocpdb> 112 atoms in block 136
Block first atom: 16271
Blocpdb> 118 atoms in block 137
Block first atom: 16383
Blocpdb> 120 atoms in block 138
Block first atom: 16501
Blocpdb> 116 atoms in block 139
Block first atom: 16621
Blocpdb> 118 atoms in block 140
Block first atom: 16737
Blocpdb> 117 atoms in block 141
Block first atom: 16855
Blocpdb> 136 atoms in block 142
Block first atom: 16972
Blocpdb> 124 atoms in block 143
Block first atom: 17108
Blocpdb> 103 atoms in block 144
Block first atom: 17232
Blocpdb> 121 atoms in block 145
Block first atom: 17335
Blocpdb> 128 atoms in block 146
Block first atom: 17456
Blocpdb> 118 atoms in block 147
Block first atom: 17584
Blocpdb> 117 atoms in block 148
Block first atom: 17702
Blocpdb> 107 atoms in block 149
Block first atom: 17819
Blocpdb> 123 atoms in block 150
Block first atom: 17926
Blocpdb> 133 atoms in block 151
Block first atom: 18049
Blocpdb> 128 atoms in block 152
Block first atom: 18182
Blocpdb> 136 atoms in block 153
Block first atom: 18310
Blocpdb> 111 atoms in block 154
Block first atom: 18446
Blocpdb> 121 atoms in block 155
Block first atom: 18557
Blocpdb> 114 atoms in block 156
Block first atom: 18678
Blocpdb> 125 atoms in block 157
Block first atom: 18792
Blocpdb> 109 atoms in block 158
Block first atom: 18917
Blocpdb> 112 atoms in block 159
Block first atom: 19026
Blocpdb> 124 atoms in block 160
Block first atom: 19138
Blocpdb> 110 atoms in block 161
Block first atom: 19262
Blocpdb> 108 atoms in block 162
Block first atom: 19372
Blocpdb> 144 atoms in block 163
Block first atom: 19480
Blocpdb> 127 atoms in block 164
Block first atom: 19624
Blocpdb> 127 atoms in block 165
Block first atom: 19751
Blocpdb> 124 atoms in block 166
Block first atom: 19878
Blocpdb> 122 atoms in block 167
Block first atom: 20002
Blocpdb> 134 atoms in block 168
Block first atom: 20124
Blocpdb> 113 atoms in block 169
Block first atom: 20258
Blocpdb> 131 atoms in block 170
Block first atom: 20371
Blocpdb> 124 atoms in block 171
Block first atom: 20502
Blocpdb> 124 atoms in block 172
Block first atom: 20626
Blocpdb> 115 atoms in block 173
Block first atom: 20750
Blocpdb> 128 atoms in block 174
Block first atom: 20865
Blocpdb> 117 atoms in block 175
Block first atom: 20993
Blocpdb> 133 atoms in block 176
Block first atom: 21110
Blocpdb> 104 atoms in block 177
Block first atom: 21243
Blocpdb> 132 atoms in block 178
Block first atom: 21347
Blocpdb> 136 atoms in block 179
Block first atom: 21479
Blocpdb> 129 atoms in block 180
Block first atom: 21615
Blocpdb> 132 atoms in block 181
Block first atom: 21744
Blocpdb> 119 atoms in block 182
Block first atom: 21876
Blocpdb> 108 atoms in block 183
Block first atom: 21995
Blocpdb> 126 atoms in block 184
Block first atom: 22103
Blocpdb> 119 atoms in block 185
Block first atom: 22229
Blocpdb> 128 atoms in block 186
Block first atom: 22348
Blocpdb> 111 atoms in block 187
Block first atom: 22476
Blocpdb> 128 atoms in block 188
Block first atom: 22587
Blocpdb> 111 atoms in block 189
Block first atom: 22715
Blocpdb> 125 atoms in block 190
Block first atom: 22826
Blocpdb> 130 atoms in block 191
Block first atom: 22951
Blocpdb> 114 atoms in block 192
Block first atom: 23081
Blocpdb> 91 atoms in block 193
Block first atom: 23195
Blocpdb> 121 atoms in block 194
Block first atom: 23286
Blocpdb> 76 atoms in block 195
Block first atom: 23406
Blocpdb> 195 blocks.
Blocpdb> At most, 146 atoms in each of them.
Blocpdb> At least, 71 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> 9183265 matrix lines read.
Prepmat> Matrix order = 70446
Prepmat> Matrix trace = 20096940.0001
Prepmat> Last element read: 70446 70446 139.6765
Prepmat> 19111 lines saved.
Prepmat> 17497 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: 23482
RTB> Total mass = 23482.0000
RTB> Number of atoms found in matrix: 23482
RTB> Number of blocks = 195
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 175223.7123
RTB> 55143 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 = 1170
Diagstd> Nb of non-zero elements: 55143
Diagstd> Projected matrix trace = 175223.7123
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1170 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 175223.7123
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 0.7742174 1.2425304 1.3056264 1.5624591
1.6947769 1.8297845 2.0117312 2.1669887 2.2863234
2.6485155 3.0498186 3.1901544 3.3484153 3.9040720
4.1211838 4.3319970 4.3971940 4.5620125 4.9596192
5.2162803 5.6381918 5.7183512 6.3092373 6.7658319
7.1130177 7.3433847 7.8955058 8.1016279 8.6839654
8.8806665 9.1107289 9.1839766 9.3539174 9.5671300
9.8407680 10.3703306 10.4711087 10.8324949 11.2417445
11.4794413 11.5806158 11.7971010 12.1802927 12.9781042
13.3741113 13.7639525 13.8842732 14.2317751 14.4646261
14.8812647 15.0397770 15.4555500 15.9172086 15.9727653
16.2787796 16.3627637 16.7686698 17.0759306 17.3035126
17.8196090 18.1289419 18.4919752 18.7174950 19.0652546
19.2252970 20.2252686 20.3945042 21.0439778 21.0816934
21.4104279 21.4584552 21.7839190 22.0501993 22.5606900
22.9090036 23.1462712 23.3164592 23.7294756 23.8108724
24.1097741 24.5117726 24.9630935 25.1285122 25.5348176
26.0012436 26.1956738 26.5744543 26.6743133 27.0922949
27.1993012 27.4885521 27.6664890 27.9942560 28.4568348
28.7253275 29.0522879 29.3151912 29.6787479 29.9565988
30.4065669
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034334 0.0034340 0.0034341 0.0034343
0.0034345 95.5491340 121.0455409 124.0808442 135.7374250
141.3681410 146.8910206 154.0211125 159.8540348 164.1965817
176.7244087 189.6410215 193.9550664 198.7078111 214.5626822
220.4480559 226.0160892 227.7105189 231.9388591 241.8351625
248.0137396 257.8488535 259.6753307 272.7619034 282.4593030
289.6157818 294.2682602 305.1302451 309.0874886 320.0032001
323.6071148 327.7719940 329.0869522 332.1177186 335.8815269
340.6510850 349.6967374 351.3917924 357.4040969 364.0928368
367.9219146 369.5397040 372.9777540 378.9868509 391.2018579
397.1254752 402.8717942 404.6288599 409.6611842 412.9988922
418.9046690 421.1298044 426.9111640 433.2401872 433.9956084
438.1332380 439.2619747 444.6769173 448.7324441 451.7128204
458.3997436 462.3613354 466.9677971 469.8066317 474.1509058
476.1368665 488.3626366 490.4015752 498.1489254 498.5951239
502.4674736 503.0307190 506.8311363 509.9194052 515.7882794
519.7546467 522.4392525 524.3564083 528.9801201 529.8865968
533.2020992 537.6289415 542.5558892 544.3505529 548.7337342
553.7227160 555.7891533 559.7929923 560.8437757 565.2208543
566.3359800 569.3393649 571.1790963 574.5525346 579.2800558
582.0064187 585.3093342 587.9516933 591.5862451 594.3489935
598.7961157
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 23482
Rtb_to_modes> Number of blocs = 195
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: 9.9952E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.7742
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.243
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.306
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.562
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.695
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.830
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.012
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.167
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.286
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.649
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.050
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.190
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.348
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.904
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.121
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.332
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.397
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.562
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.960
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.216
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.638
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.718
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.309
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.766
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.113
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.343
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.896
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.102
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 8.684
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 8.881
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.111
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.184
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.354
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.567
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.841
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.83
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.24
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.48
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 12.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 12.98
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 13.37
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 13.76
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 13.88
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 14.46
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 14.88
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 15.04
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 15.46
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 15.92
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 15.97
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 16.77
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 17.08
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 17.82
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 18.13
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 18.49
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 18.72
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.07
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 20.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 20.39
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 21.04
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 21.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 21.41
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 21.46
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 21.78
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 22.56
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 22.91
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 23.15
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 23.32
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 23.73
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 23.81
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 24.11
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 24.51
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 24.96
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 25.13
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 26.00
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 26.20
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 26.67
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 27.09
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 27.20
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 27.67
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 27.99
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 28.73
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 29.05
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 29.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 29.68
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 29.96
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 30.41
Rtb_to_modes> 106 vectors, with 1170 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00001 0.99999 0.99998
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 1.00002 0.99997 0.99999 0.99998
1.00000 1.00001 1.00002 1.00001 1.00001
0.99999 1.00000 1.00001 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 1.00003
1.00001 0.99999 0.99999 0.99999 1.00002
0.99998 0.99999 1.00000 1.00000 1.00001
1.00002 1.00000 1.00000 0.99999 0.99998
0.99999 1.00001 1.00002 0.99999 0.99999
1.00000 1.00001 1.00000 0.99998 1.00001
1.00000 1.00001 0.99999 0.99998 0.99998
1.00000 1.00002 0.99999 1.00000 1.00002
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 1.00001 1.00000 0.99999 1.00001
1.00000 0.99999 0.99997 1.00000 1.00000
0.99999 1.00001 1.00001 1.00002 1.00000
0.99999 1.00001 1.00002 1.00000 1.00000
1.00002 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 422676 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00001 0.99999 0.99998
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 1.00002 0.99997 0.99999 0.99998
1.00000 1.00001 1.00002 1.00001 1.00001
0.99999 1.00000 1.00001 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 1.00003
1.00001 0.99999 0.99999 0.99999 1.00002
0.99998 0.99999 1.00000 1.00000 1.00001
1.00002 1.00000 1.00000 0.99999 0.99998
0.99999 1.00001 1.00002 0.99999 0.99999
1.00000 1.00001 1.00000 0.99998 1.00001
1.00000 1.00001 0.99999 0.99998 0.99998
1.00000 1.00002 0.99999 1.00000 1.00002
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 1.00001 1.00000 0.99999 1.00001
1.00000 0.99999 0.99997 1.00000 1.00000
0.99999 1.00001 1.00001 1.00002 1.00000
0.99999 1.00001 1.00002 1.00000 1.00000
1.00002 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000 0.000-0.000-0.000
Vector 7: 0.000-0.000 0.000 0.000 0.000 0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000 0.000-0.000 0.000-0.000 0.000
Vector 10: 0.000 0.000-0.000-0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402030016551323968.eigenfacs
Openam> file on opening on unit 10:
2402030016551323968.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402030016551323968.atom
Openam> file on opening on unit 11:
2402030016551323968.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 = 3098
First residue number = 2
Last residue number = 1033
Number of atoms found = 23482
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: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 8.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 8.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 12.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 13.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 15.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 17.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 18.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 18.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 20.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 21.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 21.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 21.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 21.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 21.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 22.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 23.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 23.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 23.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 23.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 24.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 24.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 24.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 25.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 26.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 26.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 26.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 27.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 27.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 27.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 28.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 29.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 29.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 29.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 29.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 30.41
Bfactors> 106 vectors, 70446 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 : 0.774200
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= 0.614 for 3098 C-alpha atoms.
Bfactors> = 0.009 +/- 0.01
Bfactors> = 112.892 +/- 16.41
Bfactors> Shiftng-fct= 112.883
Bfactors> Scaling-fct= 2542.239
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402030016551323968 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=0
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=100
2402030016551323968.eigenfacs
2402030016551323968.atom
making animated gifs
11 models are in 2402030016551323968.7.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 2402030016551323968.7.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 2402030016551323968.7.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 2402030016551323968 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=0
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=100
2402030016551323968.eigenfacs
2402030016551323968.atom
making animated gifs
11 models are in 2402030016551323968.8.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 2402030016551323968.8.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 2402030016551323968.8.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 2402030016551323968 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=0
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=100
2402030016551323968.eigenfacs
2402030016551323968.atom
making animated gifs
11 models are in 2402030016551323968.9.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 2402030016551323968.9.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 2402030016551323968.9.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 2402030016551323968 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=0
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=100
2402030016551323968.eigenfacs
2402030016551323968.atom
making animated gifs
11 models are in 2402030016551323968.10.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 2402030016551323968.10.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 2402030016551323968.10.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 2402030016551323968 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=-20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=0
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=20
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=40
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=60
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=80
2402030016551323968.eigenfacs
2402030016551323968.atom
calculating perturbed structure for DQ=100
2402030016551323968.eigenfacs
2402030016551323968.atom
making animated gifs
11 models are in 2402030016551323968.11.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 2402030016551323968.11.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 2402030016551323968.11.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
2402030016551323968.10.pdb
2402030016551323968.11.pdb
2402030016551323968.7.pdb
2402030016551323968.8.pdb
2402030016551323968.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 3m23.066s
user 3m22.628s
sys 0m0.388s
../../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: 2402030016551323968.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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