*** ***
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 = 2403130625103020358.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 2403130625103020358.atom to be opened.
Openam> File opened: 2403130625103020358.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 = 560
First residue number = 43
Last residue number = 602
Number of atoms found = 4134
Mean number per residue = 7.4
Pdbmat> Coordinate statistics:
= 12.184596 +/- 13.430106 From: -17.639000 To: 48.120000
= -12.133949 +/- 11.963004 From: -40.504000 To: 21.215000
= -51.904047 +/- 15.461619 From: -86.076000 To: -13.281000
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 2.1577 % Filled.
Pdbmat> 1659535 non-zero elements.
Pdbmat> 181664 atom-atom interactions.
Pdbmat> Number per atom= 87.89 +/- 22.96
Maximum number = 132
Minimum number = 17
Pdbmat> Matrix trace = 3.633280E+06
Pdbmat> Larger element = 509.467
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
560 non-zero elements, NRBL set to 3
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 = 2403130625103020358.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2403130625103020358.atom to be opened.
Openam> file on opening on unit 11:
2403130625103020358.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4134 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 560 residues.
Blocpdb> 22 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 23
Blocpdb> 16 atoms in block 3
Block first atom: 45
Blocpdb> 22 atoms in block 4
Block first atom: 61
Blocpdb> 21 atoms in block 5
Block first atom: 83
Blocpdb> 20 atoms in block 6
Block first atom: 104
Blocpdb> 29 atoms in block 7
Block first atom: 124
Blocpdb> 20 atoms in block 8
Block first atom: 153
Blocpdb> 19 atoms in block 9
Block first atom: 173
Blocpdb> 23 atoms in block 10
Block first atom: 192
Blocpdb> 24 atoms in block 11
Block first atom: 215
Blocpdb> 24 atoms in block 12
Block first atom: 239
Blocpdb> 17 atoms in block 13
Block first atom: 263
Blocpdb> 18 atoms in block 14
Block first atom: 280
Blocpdb> 15 atoms in block 15
Block first atom: 298
Blocpdb> 24 atoms in block 16
Block first atom: 313
Blocpdb> 25 atoms in block 17
Block first atom: 337
Blocpdb> 17 atoms in block 18
Block first atom: 362
Blocpdb> 18 atoms in block 19
Block first atom: 379
Blocpdb> 27 atoms in block 20
Block first atom: 397
Blocpdb> 20 atoms in block 21
Block first atom: 424
Blocpdb> 23 atoms in block 22
Block first atom: 444
Blocpdb> 29 atoms in block 23
Block first atom: 467
Blocpdb> 31 atoms in block 24
Block first atom: 496
Blocpdb> 27 atoms in block 25
Block first atom: 527
Blocpdb> 21 atoms in block 26
Block first atom: 554
Blocpdb> 26 atoms in block 27
Block first atom: 575
Blocpdb> 33 atoms in block 28
Block first atom: 601
Blocpdb> 21 atoms in block 29
Block first atom: 634
Blocpdb> 14 atoms in block 30
Block first atom: 655
Blocpdb> 19 atoms in block 31
Block first atom: 669
Blocpdb> 20 atoms in block 32
Block first atom: 688
Blocpdb> 17 atoms in block 33
Block first atom: 708
Blocpdb> 18 atoms in block 34
Block first atom: 725
Blocpdb> 12 atoms in block 35
Block first atom: 743
Blocpdb> 22 atoms in block 36
Block first atom: 755
Blocpdb> 19 atoms in block 37
Block first atom: 777
Blocpdb> 25 atoms in block 38
Block first atom: 796
Blocpdb> 23 atoms in block 39
Block first atom: 821
Blocpdb> 20 atoms in block 40
Block first atom: 844
Blocpdb> 16 atoms in block 41
Block first atom: 864
Blocpdb> 26 atoms in block 42
Block first atom: 880
Blocpdb> 20 atoms in block 43
Block first atom: 906
Blocpdb> 23 atoms in block 44
Block first atom: 926
Blocpdb> 21 atoms in block 45
Block first atom: 949
Blocpdb> 18 atoms in block 46
Block first atom: 970
Blocpdb> 20 atoms in block 47
Block first atom: 988
Blocpdb> 23 atoms in block 48
Block first atom: 1008
Blocpdb> 25 atoms in block 49
Block first atom: 1031
Blocpdb> 24 atoms in block 50
Block first atom: 1056
Blocpdb> 24 atoms in block 51
Block first atom: 1080
Blocpdb> 26 atoms in block 52
Block first atom: 1104
Blocpdb> 23 atoms in block 53
Block first atom: 1130
Blocpdb> 18 atoms in block 54
Block first atom: 1153
Blocpdb> 19 atoms in block 55
Block first atom: 1171
Blocpdb> 23 atoms in block 56
Block first atom: 1190
Blocpdb> 27 atoms in block 57
Block first atom: 1213
Blocpdb> 21 atoms in block 58
Block first atom: 1240
Blocpdb> 23 atoms in block 59
Block first atom: 1261
Blocpdb> 31 atoms in block 60
Block first atom: 1284
Blocpdb> 16 atoms in block 61
Block first atom: 1315
Blocpdb> 17 atoms in block 62
Block first atom: 1331
Blocpdb> 24 atoms in block 63
Block first atom: 1348
Blocpdb> 24 atoms in block 64
Block first atom: 1372
Blocpdb> 26 atoms in block 65
Block first atom: 1396
Blocpdb> 24 atoms in block 66
Block first atom: 1422
Blocpdb> 30 atoms in block 67
Block first atom: 1446
Blocpdb> 19 atoms in block 68
Block first atom: 1476
Blocpdb> 14 atoms in block 69
Block first atom: 1495
Blocpdb> 23 atoms in block 70
Block first atom: 1509
Blocpdb> 24 atoms in block 71
Block first atom: 1532
Blocpdb> 18 atoms in block 72
Block first atom: 1556
Blocpdb> 18 atoms in block 73
Block first atom: 1574
Blocpdb> 26 atoms in block 74
Block first atom: 1592
Blocpdb> 22 atoms in block 75
Block first atom: 1618
Blocpdb> 20 atoms in block 76
Block first atom: 1640
Blocpdb> 17 atoms in block 77
Block first atom: 1660
Blocpdb> 20 atoms in block 78
Block first atom: 1677
Blocpdb> 18 atoms in block 79
Block first atom: 1697
Blocpdb> 22 atoms in block 80
Block first atom: 1715
Blocpdb> 25 atoms in block 81
Block first atom: 1737
Blocpdb> 23 atoms in block 82
Block first atom: 1762
Blocpdb> 21 atoms in block 83
Block first atom: 1785
Blocpdb> 26 atoms in block 84
Block first atom: 1806
Blocpdb> 23 atoms in block 85
Block first atom: 1832
Blocpdb> 21 atoms in block 86
Block first atom: 1855
Blocpdb> 17 atoms in block 87
Block first atom: 1876
Blocpdb> 21 atoms in block 88
Block first atom: 1893
Blocpdb> 20 atoms in block 89
Block first atom: 1914
Blocpdb> 17 atoms in block 90
Block first atom: 1934
Blocpdb> 23 atoms in block 91
Block first atom: 1951
Blocpdb> 31 atoms in block 92
Block first atom: 1974
Blocpdb> 20 atoms in block 93
Block first atom: 2005
Blocpdb> 21 atoms in block 94
Block first atom: 2025
Blocpdb> 20 atoms in block 95
Block first atom: 2046
Blocpdb> 17 atoms in block 96
Block first atom: 2066
Blocpdb> 20 atoms in block 97
Block first atom: 2083
Blocpdb> 21 atoms in block 98
Block first atom: 2103
Blocpdb> 22 atoms in block 99
Block first atom: 2124
Blocpdb> 17 atoms in block 100
Block first atom: 2146
Blocpdb> 21 atoms in block 101
Block first atom: 2163
Blocpdb> 19 atoms in block 102
Block first atom: 2184
Blocpdb> 21 atoms in block 103
Block first atom: 2203
Blocpdb> 23 atoms in block 104
Block first atom: 2224
Blocpdb> 20 atoms in block 105
Block first atom: 2247
Blocpdb> 25 atoms in block 106
Block first atom: 2267
Blocpdb> 17 atoms in block 107
Block first atom: 2292
Blocpdb> 22 atoms in block 108
Block first atom: 2309
Blocpdb> 15 atoms in block 109
Block first atom: 2331
Blocpdb> 22 atoms in block 110
Block first atom: 2346
Blocpdb> 31 atoms in block 111
Block first atom: 2368
Blocpdb> 33 atoms in block 112
Block first atom: 2399
Blocpdb> 17 atoms in block 113
Block first atom: 2432
Blocpdb> 18 atoms in block 114
Block first atom: 2449
Blocpdb> 18 atoms in block 115
Block first atom: 2467
Blocpdb> 26 atoms in block 116
Block first atom: 2485
Blocpdb> 21 atoms in block 117
Block first atom: 2511
Blocpdb> 31 atoms in block 118
Block first atom: 2532
Blocpdb> 36 atoms in block 119
Block first atom: 2563
Blocpdb> 21 atoms in block 120
Block first atom: 2599
Blocpdb> 20 atoms in block 121
Block first atom: 2620
Blocpdb> 21 atoms in block 122
Block first atom: 2640
Blocpdb> 25 atoms in block 123
Block first atom: 2661
Blocpdb> 17 atoms in block 124
Block first atom: 2686
Blocpdb> 22 atoms in block 125
Block first atom: 2703
Blocpdb> 31 atoms in block 126
Block first atom: 2725
Blocpdb> 23 atoms in block 127
Block first atom: 2756
Blocpdb> 23 atoms in block 128
Block first atom: 2779
Blocpdb> 23 atoms in block 129
Block first atom: 2802
Blocpdb> 22 atoms in block 130
Block first atom: 2825
Blocpdb> 24 atoms in block 131
Block first atom: 2847
Blocpdb> 17 atoms in block 132
Block first atom: 2871
Blocpdb> 27 atoms in block 133
Block first atom: 2888
Blocpdb> 28 atoms in block 134
Block first atom: 2915
Blocpdb> 27 atoms in block 135
Block first atom: 2943
Blocpdb> 23 atoms in block 136
Block first atom: 2970
Blocpdb> 31 atoms in block 137
Block first atom: 2993
Blocpdb> 18 atoms in block 138
Block first atom: 3024
Blocpdb> 24 atoms in block 139
Block first atom: 3042
Blocpdb> 22 atoms in block 140
Block first atom: 3066
Blocpdb> 22 atoms in block 141
Block first atom: 3088
Blocpdb> 28 atoms in block 142
Block first atom: 3110
Blocpdb> 18 atoms in block 143
Block first atom: 3138
Blocpdb> 23 atoms in block 144
Block first atom: 3156
Blocpdb> 21 atoms in block 145
Block first atom: 3179
Blocpdb> 30 atoms in block 146
Block first atom: 3200
Blocpdb> 17 atoms in block 147
Block first atom: 3230
Blocpdb> 24 atoms in block 148
Block first atom: 3247
Blocpdb> 26 atoms in block 149
Block first atom: 3271
Blocpdb> 22 atoms in block 150
Block first atom: 3297
Blocpdb> 21 atoms in block 151
Block first atom: 3319
Blocpdb> 19 atoms in block 152
Block first atom: 3340
Blocpdb> 20 atoms in block 153
Block first atom: 3359
Blocpdb> 32 atoms in block 154
Block first atom: 3379
Blocpdb> 28 atoms in block 155
Block first atom: 3411
Blocpdb> 14 atoms in block 156
Block first atom: 3439
Blocpdb> 19 atoms in block 157
Block first atom: 3453
Blocpdb> 14 atoms in block 158
Block first atom: 3472
Blocpdb> 27 atoms in block 159
Block first atom: 3486
Blocpdb> 27 atoms in block 160
Block first atom: 3513
Blocpdb> 18 atoms in block 161
Block first atom: 3540
Blocpdb> 26 atoms in block 162
Block first atom: 3558
Blocpdb> 16 atoms in block 163
Block first atom: 3584
Blocpdb> 15 atoms in block 164
Block first atom: 3600
Blocpdb> 26 atoms in block 165
Block first atom: 3615
Blocpdb> 27 atoms in block 166
Block first atom: 3641
Blocpdb> 22 atoms in block 167
Block first atom: 3668
Blocpdb> 20 atoms in block 168
Block first atom: 3690
Blocpdb> 30 atoms in block 169
Block first atom: 3710
Blocpdb> 24 atoms in block 170
Block first atom: 3740
Blocpdb> 20 atoms in block 171
Block first atom: 3764
Blocpdb> 23 atoms in block 172
Block first atom: 3784
Blocpdb> 25 atoms in block 173
Block first atom: 3807
Blocpdb> 18 atoms in block 174
Block first atom: 3832
Blocpdb> 27 atoms in block 175
Block first atom: 3850
Blocpdb> 16 atoms in block 176
Block first atom: 3877
Blocpdb> 23 atoms in block 177
Block first atom: 3893
Blocpdb> 26 atoms in block 178
Block first atom: 3916
Blocpdb> 25 atoms in block 179
Block first atom: 3942
Blocpdb> 24 atoms in block 180
Block first atom: 3967
Blocpdb> 28 atoms in block 181
Block first atom: 3991
Blocpdb> 19 atoms in block 182
Block first atom: 4019
Blocpdb> 20 atoms in block 183
Block first atom: 4038
Blocpdb> 24 atoms in block 184
Block first atom: 4058
Blocpdb> 24 atoms in block 185
Block first atom: 4082
Blocpdb> 16 atoms in block 186
Block first atom: 4106
Blocpdb> 13 atoms in block 187
Block first atom: 4121
Blocpdb> 187 blocks.
Blocpdb> At most, 36 atoms in each of them.
Blocpdb> At least, 12 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> 1659722 matrix lines read.
Prepmat> Matrix order = 12402
Prepmat> Matrix trace = 3633280.0000
Prepmat> Last element read: 12402 12402 220.7615
Prepmat> 17579 lines saved.
Prepmat> 15611 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: 4134
RTB> Total mass = 4134.0000
RTB> Number of atoms found in matrix: 4134
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 265206.5942
RTB> 68007 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 = 1122
Diagstd> Nb of non-zero elements: 68007
Diagstd> Projected matrix trace = 265206.5942
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 265206.5942
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 1.6674990 2.2902157 3.3569442 4.5952765
5.4346882 6.6945322 7.8191925 8.3090808 8.7506635
9.8396926 10.5465997 11.3248824 12.3780429 12.8153669
13.6233229 13.9539248 14.4953732 15.4824709 16.0224099
16.8032654 17.5875557 17.9851220 19.2618099 19.7740031
20.3340818 21.3371994 22.1197811 22.6401494 23.2863301
23.3263911 25.3000747 25.9534108 26.3454661 27.1232501
28.2528941 28.9478999 29.4889848 30.1062400 30.8169511
31.5958182 31.8802049 32.4344318 33.7321321 33.9695125
34.7384043 35.5063696 36.4194692 36.7485413 36.9543678
37.6110561 38.3077109 38.6260755 39.1484941 40.2334532
40.5270897 41.9746115 42.1349858 42.5664239 43.3921471
43.9952250 45.0302268 45.4166286 45.6203391 46.1085254
47.0587169 48.0190444 48.9094454 49.0467493 50.0714892
50.3525565 50.8807287 51.1095666 52.0341197 52.5238814
52.8782545 53.7065765 54.4145877 55.1368276 55.1701069
56.0741938 56.7924596 57.1489541 57.2253343 57.8250332
59.3281552 59.4654051 60.2302582 60.6524949 61.2790279
61.4532200 61.9676198 62.4274682 63.6401691 64.4256919
65.0958241 65.7973070 66.3170561 66.7252414 66.7888695
68.1687789
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034339 0.0034342 0.0034344 0.0034347
0.0034358 140.2258472 164.3362885 198.9607178 232.7829158
253.1527199 280.9670538 303.6520612 313.0197725 321.2297588
340.6324719 352.6561907 365.4366757 382.0509395 388.7414077
400.8083916 405.6425182 413.4376093 427.2828059 434.6695314
445.1353901 455.4052392 460.5236882 476.5887940 482.8837374
489.6745839 501.6074618 510.7233250 516.6957922 524.0175176
524.4680741 546.2056423 553.2131578 557.3759470 565.5436683
577.2005695 584.2568483 589.6919389 595.8316100 602.8234173
610.3937578 613.1346106 618.4412191 630.6917886 632.9070559
640.0298257 647.0657539 655.3330730 658.2870819 660.1280222
665.9675134 672.1069412 674.8940090 679.4426590 688.7933329
691.3022797 703.5397223 704.8824642 708.4820693 715.3207949
720.2745202 728.6976140 731.8173918 733.4567927 737.3707343
744.9297534 752.4922597 759.4368203 760.5020596 768.4056228
770.5592585 774.5900995 776.3300182 783.3203081 786.9981042
789.6485382 795.8093087 801.0376920 806.3362181 806.5795248
813.1614837 818.3528878 820.9173296 821.4657284 825.7588285
836.4224910 837.3894231 842.7575325 845.7063960 850.0631970
851.2705366 854.8259307 857.9918081 866.2852953 871.6152616
876.1366440 880.8446880 884.3168488 887.0341848 887.4570148
896.5779165
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4134
Rtb_to_modes> Number of blocs = 187
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: 9.9878E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.667
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.290
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.357
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.595
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.435
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.695
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.819
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.309
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.751
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.840
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.55
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.32
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.38
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.62
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.95
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.48
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.59
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.99
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 19.26
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 20.33
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 21.34
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.12
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 23.29
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.33
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 25.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 27.12
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 28.95
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 29.49
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.11
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 31.60
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 31.88
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 32.43
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 33.73
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 33.97
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 34.74
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 35.51
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.42
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 36.75
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.95
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 37.61
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.31
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.63
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 39.15
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 40.23
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 40.53
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 41.97
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 42.13
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 42.57
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 43.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 44.00
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 45.03
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 45.42
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 46.11
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 47.06
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 48.02
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 48.91
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 49.05
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 50.35
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 50.88
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 51.11
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 52.03
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 52.52
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 52.88
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 53.71
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 54.41
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 55.14
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 55.17
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 56.07
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 56.79
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 57.15
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 57.23
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 57.83
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 59.33
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 59.47
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 60.23
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 60.65
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 61.28
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 61.45
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 61.97
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 62.43
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 63.64
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 64.43
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 65.10
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 65.80
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 66.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 66.73
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 66.79
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 68.17
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 0.99999 0.99999
1.00001 1.00000 0.99999 1.00001 0.99999
0.99999 0.99999 1.00000 0.99998 1.00001
1.00000 0.99997 1.00000 0.99999 0.99997
0.99997 1.00001 1.00001 1.00000 1.00001
0.99998 1.00001 0.99997 1.00005 1.00000
0.99998 0.99998 1.00000 0.99999 1.00004
1.00001 1.00000 0.99999 1.00000 1.00000
1.00002 1.00000 1.00003 1.00001 0.99999
1.00001 0.99998 1.00000 1.00003 1.00002
1.00001 1.00002 1.00000 1.00003 0.99998
1.00000 1.00000 1.00001 1.00001 1.00000
1.00000 1.00000 1.00000 0.99999 0.99998
1.00001 0.99998 0.99998 1.00001 0.99999
0.99999 1.00001 0.99999 0.99997 1.00001
1.00003 1.00000 0.99999 1.00000 1.00001
0.99997 1.00000 1.00001 1.00000 1.00000
1.00000 1.00002 1.00002 0.99999 0.99997
1.00002 0.99999 1.00000 1.00000 0.99999
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 1.00000 0.99998 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 74412 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 0.99999 0.99999
1.00001 1.00000 0.99999 1.00001 0.99999
0.99999 0.99999 1.00000 0.99998 1.00001
1.00000 0.99997 1.00000 0.99999 0.99997
0.99997 1.00001 1.00001 1.00000 1.00001
0.99998 1.00001 0.99997 1.00005 1.00000
0.99998 0.99998 1.00000 0.99999 1.00004
1.00001 1.00000 0.99999 1.00000 1.00000
1.00002 1.00000 1.00003 1.00001 0.99999
1.00001 0.99998 1.00000 1.00003 1.00002
1.00001 1.00002 1.00000 1.00003 0.99998
1.00000 1.00000 1.00001 1.00001 1.00000
1.00000 1.00000 1.00000 0.99999 0.99998
1.00001 0.99998 0.99998 1.00001 0.99999
0.99999 1.00001 0.99999 0.99997 1.00001
1.00003 1.00000 0.99999 1.00000 1.00001
0.99997 1.00000 1.00001 1.00000 1.00000
1.00000 1.00002 1.00002 0.99999 0.99997
1.00002 0.99999 1.00000 1.00000 0.99999
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 1.00000 0.99998 1.00001
1.00001
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> 2403130625103020358.eigenfacs
Openam> file on opening on unit 10:
2403130625103020358.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403130625103020358.atom
Openam> file on opening on unit 11:
2403130625103020358.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 = 560
First residue number = 43
Last residue number = 602
Number of atoms found = 4134
Mean number per residue = 7.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9878E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 23.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 25.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 27.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 28.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 29.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 31.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 31.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 32.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 33.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 33.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 34.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 35.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 36.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 37.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 39.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 40.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 40.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 41.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 42.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 42.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 43.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 44.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 45.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 45.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 46.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 47.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 48.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 48.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 49.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 50.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 50.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 51.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 52.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 52.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 52.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 53.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 54.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 55.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 55.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 56.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 56.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 57.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 57.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 57.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 59.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 59.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 60.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 60.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 61.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 61.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 61.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 62.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 63.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 64.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 65.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 65.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 66.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 66.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 66.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 68.17
Bfactors> 106 vectors, 12402 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 : 1.667000
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= 0.175 for 560 C-alpha atoms.
Bfactors> = 0.020 +/- 0.03
Bfactors> = 1.487 +/- 15.77
Bfactors> Shiftng-fct= 1.467
Bfactors> Scaling-fct= 539.996
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403130625103020358 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=0
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=100
2403130625103020358.eigenfacs
2403130625103020358.atom
making animated gifs
11 models are in 2403130625103020358.7.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 2403130625103020358.7.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 2403130625103020358.7.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 2403130625103020358 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=0
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=100
2403130625103020358.eigenfacs
2403130625103020358.atom
making animated gifs
11 models are in 2403130625103020358.8.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 2403130625103020358.8.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 2403130625103020358.8.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 2403130625103020358 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=0
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=100
2403130625103020358.eigenfacs
2403130625103020358.atom
making animated gifs
11 models are in 2403130625103020358.9.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 2403130625103020358.9.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 2403130625103020358.9.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 2403130625103020358 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=0
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=100
2403130625103020358.eigenfacs
2403130625103020358.atom
making animated gifs
11 models are in 2403130625103020358.10.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 2403130625103020358.10.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 2403130625103020358.10.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 2403130625103020358 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=-20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=0
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=20
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=40
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=60
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=80
2403130625103020358.eigenfacs
2403130625103020358.atom
calculating perturbed structure for DQ=100
2403130625103020358.eigenfacs
2403130625103020358.atom
making animated gifs
11 models are in 2403130625103020358.11.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 2403130625103020358.11.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 2403130625103020358.11.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
2403130625103020358.10.pdb
2403130625103020358.11.pdb
2403130625103020358.7.pdb
2403130625103020358.8.pdb
2403130625103020358.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.645s
user 0m24.566s
sys 0m0.060s
../../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: 2403130625103020358.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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