*** ABCA1 ***
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 = 2403071703592085223.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 2403071703592085223.atom to be opened.
Openam> File opened: 2403071703592085223.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 = 2261
First residue number = 1
Last residue number = 2261
Number of atoms found = 17899
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -2.504919 +/- 18.515263 From: -53.898000 To: 44.883000
= -33.668530 +/- 15.677447 From: -79.990000 To: 14.447000
= -10.709570 +/- 55.711069 From: -104.722000 To: 124.879000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSP ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSP ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 40 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is -0.9305 % Filled.
Pdbmat> 6567473 non-zero elements.
Pdbmat> 717896 atom-atom interactions.
Pdbmat> Number per atom= 80.22 +/- 21.80
Maximum number = 134
Minimum number = 8
Pdbmat> Matrix trace = 1.435792E+07
Pdbmat> Larger element = 513.255
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
2261 non-zero elements, NRBL set to 12
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 = 2403071703592085223.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 12
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 2403071703592085223.atom to be opened.
Openam> file on opening on unit 11:
2403071703592085223.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 17899 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 12 residue(s) per block.
Blocpdb> 2261 residues.
Blocpdb> 106 atoms in block 1
Block first atom: 1
Blocpdb> 107 atoms in block 2
Block first atom: 107
Blocpdb> 104 atoms in block 3
Block first atom: 214
Blocpdb> 96 atoms in block 4
Block first atom: 318
Blocpdb> 105 atoms in block 5
Block first atom: 414
Blocpdb> 86 atoms in block 6
Block first atom: 519
Blocpdb> 98 atoms in block 7
Block first atom: 605
Blocpdb> 76 atoms in block 8
Block first atom: 703
Blocpdb> 98 atoms in block 9
Block first atom: 779
Blocpdb> 102 atoms in block 10
Block first atom: 877
Blocpdb> 100 atoms in block 11
Block first atom: 979
Blocpdb> 95 atoms in block 12
Block first atom: 1079
Blocpdb> 96 atoms in block 13
Block first atom: 1174
Blocpdb> 100 atoms in block 14
Block first atom: 1270
Blocpdb> 97 atoms in block 15
Block first atom: 1370
Blocpdb> 102 atoms in block 16
Block first atom: 1467
Blocpdb> 87 atoms in block 17
Block first atom: 1569
Blocpdb> 87 atoms in block 18
Block first atom: 1656
Blocpdb> 94 atoms in block 19
Block first atom: 1743
Blocpdb> 97 atoms in block 20
Block first atom: 1837
Blocpdb> 93 atoms in block 21
Block first atom: 1934
Blocpdb> 91 atoms in block 22
Block first atom: 2027
Blocpdb> 94 atoms in block 23
Block first atom: 2118
Blocpdb> 105 atoms in block 24
Block first atom: 2212
Blocpdb> 84 atoms in block 25
Block first atom: 2317
Blocpdb> 92 atoms in block 26
Block first atom: 2401
Blocpdb> 91 atoms in block 27
Block first atom: 2493
Blocpdb> 98 atoms in block 28
Block first atom: 2584
Blocpdb> 97 atoms in block 29
Block first atom: 2682
Blocpdb> 94 atoms in block 30
Block first atom: 2779
Blocpdb> 99 atoms in block 31
Block first atom: 2873
Blocpdb> 90 atoms in block 32
Block first atom: 2972
Blocpdb> 95 atoms in block 33
Block first atom: 3062
Blocpdb> 94 atoms in block 34
Block first atom: 3157
Blocpdb> 104 atoms in block 35
Block first atom: 3251
Blocpdb> 105 atoms in block 36
Block first atom: 3355
Blocpdb> 99 atoms in block 37
Block first atom: 3460
Blocpdb> 106 atoms in block 38
Block first atom: 3559
Blocpdb> 95 atoms in block 39
Block first atom: 3665
Blocpdb> 89 atoms in block 40
Block first atom: 3760
Blocpdb> 108 atoms in block 41
Block first atom: 3849
Blocpdb> 99 atoms in block 42
Block first atom: 3957
Blocpdb> 93 atoms in block 43
Block first atom: 4056
Blocpdb> 101 atoms in block 44
Block first atom: 4149
Blocpdb> 100 atoms in block 45
Block first atom: 4250
Blocpdb> 91 atoms in block 46
Block first atom: 4350
Blocpdb> 105 atoms in block 47
Block first atom: 4441
Blocpdb> 105 atoms in block 48
Block first atom: 4546
Blocpdb> 101 atoms in block 49
Block first atom: 4651
Blocpdb> 96 atoms in block 50
Block first atom: 4752
Blocpdb> 92 atoms in block 51
Block first atom: 4848
Blocpdb> 101 atoms in block 52
Block first atom: 4940
Blocpdb> 101 atoms in block 53
Block first atom: 5041
Blocpdb> 99 atoms in block 54
Block first atom: 5142
Blocpdb> 89 atoms in block 55
Block first atom: 5241
Blocpdb> 107 atoms in block 56
Block first atom: 5330
Blocpdb> 97 atoms in block 57
Block first atom: 5437
Blocpdb> 97 atoms in block 58
Block first atom: 5534
Blocpdb> 84 atoms in block 59
Block first atom: 5631
Blocpdb> 94 atoms in block 60
Block first atom: 5715
Blocpdb> 94 atoms in block 61
Block first atom: 5809
Blocpdb> 95 atoms in block 62
Block first atom: 5903
Blocpdb> 83 atoms in block 63
Block first atom: 5998
Blocpdb> 103 atoms in block 64
Block first atom: 6081
Blocpdb> 96 atoms in block 65
Block first atom: 6184
Blocpdb> 86 atoms in block 66
Block first atom: 6280
Blocpdb> 97 atoms in block 67
Block first atom: 6366
Blocpdb> 105 atoms in block 68
Block first atom: 6463
Blocpdb> 88 atoms in block 69
Block first atom: 6568
Blocpdb> 105 atoms in block 70
Block first atom: 6656
Blocpdb> 96 atoms in block 71
Block first atom: 6761
Blocpdb> 109 atoms in block 72
Block first atom: 6857
Blocpdb> 102 atoms in block 73
Block first atom: 6966
Blocpdb> 92 atoms in block 74
Block first atom: 7068
Blocpdb> 93 atoms in block 75
Block first atom: 7160
Blocpdb> 99 atoms in block 76
Block first atom: 7253
Blocpdb> 92 atoms in block 77
Block first atom: 7352
Blocpdb> 88 atoms in block 78
Block first atom: 7444
Blocpdb> 80 atoms in block 79
Block first atom: 7532
Blocpdb> 90 atoms in block 80
Block first atom: 7612
Blocpdb> 95 atoms in block 81
Block first atom: 7702
Blocpdb> 91 atoms in block 82
Block first atom: 7797
Blocpdb> 110 atoms in block 83
Block first atom: 7888
Blocpdb> 98 atoms in block 84
Block first atom: 7998
Blocpdb> 89 atoms in block 85
Block first atom: 8096
Blocpdb> 90 atoms in block 86
Block first atom: 8185
Blocpdb> 85 atoms in block 87
Block first atom: 8275
Blocpdb> 84 atoms in block 88
Block first atom: 8360
Blocpdb> 91 atoms in block 89
Block first atom: 8444
Blocpdb> 111 atoms in block 90
Block first atom: 8535
Blocpdb> 95 atoms in block 91
Block first atom: 8646
Blocpdb> 89 atoms in block 92
Block first atom: 8741
Blocpdb> 80 atoms in block 93
Block first atom: 8830
Blocpdb> 100 atoms in block 94
Block first atom: 8910
Blocpdb> 90 atoms in block 95
Block first atom: 9010
Blocpdb> 89 atoms in block 96
Block first atom: 9100
Blocpdb> 89 atoms in block 97
Block first atom: 9189
Blocpdb> 83 atoms in block 98
Block first atom: 9278
Blocpdb> 90 atoms in block 99
Block first atom: 9361
Blocpdb> 97 atoms in block 100
Block first atom: 9451
Blocpdb> 98 atoms in block 101
Block first atom: 9548
Blocpdb> 97 atoms in block 102
Block first atom: 9646
Blocpdb> 89 atoms in block 103
Block first atom: 9743
Blocpdb> 98 atoms in block 104
Block first atom: 9832
Blocpdb> 86 atoms in block 105
Block first atom: 9930
Blocpdb> 93 atoms in block 106
Block first atom: 10016
Blocpdb> 95 atoms in block 107
Block first atom: 10109
Blocpdb> 90 atoms in block 108
Block first atom: 10204
Blocpdb> 97 atoms in block 109
Block first atom: 10294
Blocpdb> 86 atoms in block 110
Block first atom: 10391
Blocpdb> 100 atoms in block 111
Block first atom: 10477
Blocpdb> 110 atoms in block 112
Block first atom: 10577
Blocpdb> 91 atoms in block 113
Block first atom: 10687
Blocpdb> 92 atoms in block 114
Block first atom: 10778
Blocpdb> 97 atoms in block 115
Block first atom: 10870
Blocpdb> 110 atoms in block 116
Block first atom: 10967
Blocpdb> 88 atoms in block 117
Block first atom: 11077
Blocpdb> 86 atoms in block 118
Block first atom: 11165
Blocpdb> 90 atoms in block 119
Block first atom: 11251
Blocpdb> 91 atoms in block 120
Block first atom: 11341
Blocpdb> 94 atoms in block 121
Block first atom: 11432
Blocpdb> 94 atoms in block 122
Block first atom: 11526
Blocpdb> 91 atoms in block 123
Block first atom: 11620
Blocpdb> 75 atoms in block 124
Block first atom: 11711
Blocpdb> 98 atoms in block 125
Block first atom: 11786
Blocpdb> 95 atoms in block 126
Block first atom: 11884
Blocpdb> 98 atoms in block 127
Block first atom: 11979
Blocpdb> 105 atoms in block 128
Block first atom: 12077
Blocpdb> 82 atoms in block 129
Block first atom: 12182
Blocpdb> 98 atoms in block 130
Block first atom: 12264
Blocpdb> 93 atoms in block 131
Block first atom: 12362
Blocpdb> 94 atoms in block 132
Block first atom: 12455
Blocpdb> 104 atoms in block 133
Block first atom: 12549
Blocpdb> 96 atoms in block 134
Block first atom: 12653
Blocpdb> 95 atoms in block 135
Block first atom: 12749
Blocpdb> 91 atoms in block 136
Block first atom: 12844
Blocpdb> 97 atoms in block 137
Block first atom: 12935
Blocpdb> 87 atoms in block 138
Block first atom: 13032
Blocpdb> 90 atoms in block 139
Block first atom: 13119
Blocpdb> 99 atoms in block 140
Block first atom: 13209
Blocpdb> 92 atoms in block 141
Block first atom: 13308
Blocpdb> 104 atoms in block 142
Block first atom: 13400
Blocpdb> 97 atoms in block 143
Block first atom: 13504
Blocpdb> 100 atoms in block 144
Block first atom: 13601
Blocpdb> 89 atoms in block 145
Block first atom: 13701
Blocpdb> 98 atoms in block 146
Block first atom: 13790
Blocpdb> 97 atoms in block 147
Block first atom: 13888
Blocpdb> 93 atoms in block 148
Block first atom: 13985
Blocpdb> 83 atoms in block 149
Block first atom: 14078
Blocpdb> 100 atoms in block 150
Block first atom: 14161
Blocpdb> 101 atoms in block 151
Block first atom: 14261
Blocpdb> 92 atoms in block 152
Block first atom: 14362
Blocpdb> 91 atoms in block 153
Block first atom: 14454
Blocpdb> 103 atoms in block 154
Block first atom: 14545
Blocpdb> 87 atoms in block 155
Block first atom: 14648
Blocpdb> 103 atoms in block 156
Block first atom: 14735
Blocpdb> 106 atoms in block 157
Block first atom: 14838
Blocpdb> 97 atoms in block 158
Block first atom: 14944
Blocpdb> 96 atoms in block 159
Block first atom: 15041
Blocpdb> 99 atoms in block 160
Block first atom: 15137
Blocpdb> 109 atoms in block 161
Block first atom: 15236
Blocpdb> 81 atoms in block 162
Block first atom: 15345
Blocpdb> 79 atoms in block 163
Block first atom: 15426
Blocpdb> 87 atoms in block 164
Block first atom: 15505
Blocpdb> 93 atoms in block 165
Block first atom: 15592
Blocpdb> 98 atoms in block 166
Block first atom: 15685
Blocpdb> 95 atoms in block 167
Block first atom: 15783
Blocpdb> 100 atoms in block 168
Block first atom: 15878
Blocpdb> 93 atoms in block 169
Block first atom: 15978
Blocpdb> 98 atoms in block 170
Block first atom: 16071
Blocpdb> 92 atoms in block 171
Block first atom: 16169
Blocpdb> 77 atoms in block 172
Block first atom: 16261
Blocpdb> 91 atoms in block 173
Block first atom: 16338
Blocpdb> 103 atoms in block 174
Block first atom: 16429
Blocpdb> 88 atoms in block 175
Block first atom: 16532
Blocpdb> 89 atoms in block 176
Block first atom: 16620
Blocpdb> 98 atoms in block 177
Block first atom: 16709
Blocpdb> 95 atoms in block 178
Block first atom: 16807
Blocpdb> 87 atoms in block 179
Block first atom: 16902
Blocpdb> 97 atoms in block 180
Block first atom: 16989
Blocpdb> 93 atoms in block 181
Block first atom: 17086
Blocpdb> 100 atoms in block 182
Block first atom: 17179
Blocpdb> 92 atoms in block 183
Block first atom: 17279
Blocpdb> 103 atoms in block 184
Block first atom: 17371
Blocpdb> 98 atoms in block 185
Block first atom: 17474
Blocpdb> 96 atoms in block 186
Block first atom: 17572
Blocpdb> 94 atoms in block 187
Block first atom: 17668
Blocpdb> 94 atoms in block 188
Block first atom: 17762
Blocpdb> 44 atoms in block 189
Block first atom: 17855
Blocpdb> 189 blocks.
Blocpdb> At most, 111 atoms in each of them.
Blocpdb> At least, 44 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> 6567662 matrix lines read.
Prepmat> Matrix order = 53697
Prepmat> Matrix trace = 14357920.0001
Prepmat> Last element read: 53697 53697 42.3856
Prepmat> 17956 lines saved.
Prepmat> 16565 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: 17899
RTB> Total mass = 17899.0000
RTB> Number of atoms found in matrix: 17899
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 162503.2213
RTB> 47205 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 = 1134
Diagstd> Nb of non-zero elements: 47205
Diagstd> Projected matrix trace = 162503.2213
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 162503.2213
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 0.0568570 0.0849806 0.2285737 0.3190871
0.3519748 0.4768848 0.5465743 0.7871825 0.9083421
0.9952935 1.1773569 1.2772360 1.5336386 1.7966967
1.8674525 2.0282907 2.3170230 2.5059612 2.5580633
2.7151009 2.9552416 3.0353173 3.1207425 3.3945655
3.5095160 3.6896608 3.8134004 3.8730695 4.0222445
4.2370331 4.4227409 4.5136910 4.8644240 4.8837912
5.3878137 5.5441970 5.7765632 6.1457766 6.2344193
6.5928404 6.6611269 7.0497613 7.2499344 7.3249058
7.7309760 7.8346964 8.0173964 8.3112791 8.4630492
8.9258051 9.1824139 9.4791558 9.6539537 9.8590544
10.4019772 10.7025390 10.8501966 11.2536807 11.4291707
11.6027459 11.7933366 12.0393290 12.3218629 12.5416312
13.1191922 13.2314849 13.4055473 13.5722153 13.6914299
13.9009694 14.2861427 14.5186046 14.8662646 15.0146766
15.2104112 15.6535804 16.0436372 16.2124974 16.2620227
16.4445364 16.6900071 16.7909151 16.9156544 17.1830125
17.3731350 17.8160671 17.9842728 18.1716786 18.3655779
18.5213781 18.6528134 18.8549948 18.9779877 19.6520417
19.9933895 20.3102806 20.5938249 20.7705840 21.4848518
21.5682163
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034326 0.0034330 0.0034331 0.0034333 0.0034334
0.0034352 25.8932932 31.6559376 51.9168592 61.3408704
64.4244974 74.9897690 80.2823162 96.3458447 103.4951485
108.3355169 117.8282273 122.7243837 134.4797181 145.5568566
148.3952730 154.6537222 165.2952818 171.9026024 173.6804461
178.9321033 186.6774125 189.1896292 191.8334120 200.0724902
203.4318231 208.5876056 212.0564495 213.7090558 217.7857762
223.5250535 228.3710404 230.7072242 239.5030198 239.9793235
252.0586268 255.6905084 260.9937118 269.2053357 271.1398074
278.8249045 280.2651737 288.3251242 292.3898681 293.8977778
301.9342938 303.9529524 307.4765208 313.0611777 315.9066097
324.4284864 329.0589536 334.3336671 337.4021814 340.9674420
350.2299068 355.2537647 357.6959998 364.2860781 367.1154306
369.8926236 372.9182406 376.7874431 381.1829494 384.5672463
393.3225331 395.0022526 397.5919242 400.0558736 401.8090213
404.8720758 410.4429239 413.7687804 418.6934907 420.7782389
423.5120359 429.6374439 434.9573723 437.2403569 437.9076796
440.3582101 443.6326907 444.9717736 446.6215583 450.1372290
452.6206645 458.3541839 460.5128163 462.9059934 465.3691383
467.3388966 468.9941797 471.5290873 473.0645023 481.3922770
485.5550706 489.3879164 492.7921578 494.9024849 503.3400195
504.3155915
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 17899
Rtb_to_modes> Number of blocs = 189
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: 9.9922E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.6857E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.4981E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2286
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3191
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.3520
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.4769
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.5466
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.7872
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.9083
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.9953
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.177
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.277
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.534
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.797
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.867
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.028
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.317
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.506
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.558
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.715
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.955
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.035
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.121
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.395
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.510
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.690
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.813
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.873
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.022
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.237
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.423
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.514
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.864
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 4.884
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.388
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.544
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.777
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 6.146
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.234
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.593
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 6.661
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 7.050
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 7.250
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 7.325
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.731
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.835
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 8.017
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 8.311
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 8.463
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 8.926
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 9.182
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 9.479
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 9.654
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 9.859
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 10.70
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 10.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 11.25
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 12.32
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 12.54
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 13.12
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 13.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 13.69
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 14.29
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 14.87
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 15.01
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 15.21
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 15.65
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 16.04
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 16.26
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 16.44
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 16.69
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 16.79
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 16.92
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 17.18
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 17.37
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 17.82
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 17.98
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 18.17
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 18.37
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 18.52
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 18.65
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 18.85
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 19.65
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 19.99
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 20.31
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 20.77
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 21.48
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 21.57
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00001 1.00000 1.00000
0.99998 0.99999 1.00001 1.00001 1.00002
0.99997 1.00000 1.00001 1.00003 1.00000
1.00000 0.99999 0.99998 1.00000 1.00003
0.99999 1.00000 1.00001 1.00001 1.00004
1.00000 1.00002 0.99998 0.99997 0.99999
1.00000 0.99999 0.99998 0.99996 0.99999
0.99997 1.00002 0.99996 1.00001 0.99998
1.00000 1.00002 1.00000 1.00000 1.00000
1.00002 1.00003 0.99999 1.00000 1.00002
1.00005 1.00001 1.00000 1.00002 1.00003
0.99999 1.00001 0.99998 1.00002 1.00001
1.00001 1.00002 0.99999 0.99998 1.00003
0.99997 1.00001 1.00002 0.99998 1.00000
1.00003 1.00003 0.99999 1.00001 0.99998
0.99997 1.00001 1.00001 0.99999 0.99999
1.00002 0.99999 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 0.99998 0.99997
1.00003 0.99999 0.99999 1.00002 1.00001
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00003 0.99999 0.99999 0.99997
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 322182 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00001 1.00000 1.00000
0.99998 0.99999 1.00001 1.00001 1.00002
0.99997 1.00000 1.00001 1.00003 1.00000
1.00000 0.99999 0.99998 1.00000 1.00003
0.99999 1.00000 1.00001 1.00001 1.00004
1.00000 1.00002 0.99998 0.99997 0.99999
1.00000 0.99999 0.99998 0.99996 0.99999
0.99997 1.00002 0.99996 1.00001 0.99998
1.00000 1.00002 1.00000 1.00000 1.00000
1.00002 1.00003 0.99999 1.00000 1.00002
1.00005 1.00001 1.00000 1.00002 1.00003
0.99999 1.00001 0.99998 1.00002 1.00001
1.00001 1.00002 0.99999 0.99998 1.00003
0.99997 1.00001 1.00002 0.99998 1.00000
1.00003 1.00003 0.99999 1.00001 0.99998
0.99997 1.00001 1.00001 0.99999 0.99999
1.00002 0.99999 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 0.99998 0.99997
1.00003 0.99999 0.99999 1.00002 1.00001
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00003 0.99999 0.99999 0.99997
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> 2403071703592085223.eigenfacs
Openam> file on opening on unit 10:
2403071703592085223.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403071703592085223.atom
Openam> file on opening on unit 11:
2403071703592085223.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 = 2261
First residue number = 1
Last residue number = 2261
Number of atoms found = 17899
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-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: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6857E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4981E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 4.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 6.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 7.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 7.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 8.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 8.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 8.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 9.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Bfactors> 106 vectors, 53697 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 : 0.056857
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.053 +/- 0.09
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.053
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403071703592085223 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=0
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=100
2403071703592085223.eigenfacs
2403071703592085223.atom
making animated gifs
11 models are in 2403071703592085223.7.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 2403071703592085223.7.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 2403071703592085223.7.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 2403071703592085223 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=0
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=100
2403071703592085223.eigenfacs
2403071703592085223.atom
making animated gifs
11 models are in 2403071703592085223.8.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 2403071703592085223.8.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 2403071703592085223.8.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 2403071703592085223 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=0
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=100
2403071703592085223.eigenfacs
2403071703592085223.atom
making animated gifs
11 models are in 2403071703592085223.9.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 2403071703592085223.9.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 2403071703592085223.9.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 2403071703592085223 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=0
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=100
2403071703592085223.eigenfacs
2403071703592085223.atom
making animated gifs
11 models are in 2403071703592085223.10.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 2403071703592085223.10.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 2403071703592085223.10.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 2403071703592085223 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=-20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=0
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=20
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=40
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=60
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=80
2403071703592085223.eigenfacs
2403071703592085223.atom
calculating perturbed structure for DQ=100
2403071703592085223.eigenfacs
2403071703592085223.atom
making animated gifs
11 models are in 2403071703592085223.11.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 2403071703592085223.11.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 2403071703592085223.11.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
2403071703592085223.10.pdb
2403071703592085223.11.pdb
2403071703592085223.7.pdb
2403071703592085223.8.pdb
2403071703592085223.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 2m6.899s
user 2m6.587s
sys 0m0.292s
../../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: 2403071703592085223.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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