*** ***
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 = 2404121838403870988.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 2404121838403870988.atom to be opened.
Openam> File opened: 2404121838403870988.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 = 1302
First residue number = 3
Last residue number = 27
Number of atoms found = 10573
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 44.391599 +/- 19.934267 From: -12.756000 To: 101.679000
= -0.279249 +/- 18.357528 From: -43.172000 To: 43.840000
= -5.235924 +/- 19.292971 From: -51.749000 To: 44.987000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 54 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 0.8311 % Filled.
Pdbmat> 4180868 non-zero elements.
Pdbmat> 457570 atom-atom interactions.
Pdbmat> Number per atom= 86.55 +/- 20.62
Maximum number = 134
Minimum number = 13
Pdbmat> Matrix trace = 9.151400E+06
Pdbmat> Larger element = 512.927
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1302 non-zero elements, NRBL set to 7
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 = 2404121838403870988.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2404121838403870988.atom to be opened.
Openam> file on opening on unit 11:
2404121838403870988.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10573 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1302 residues.
Blocpdb> 53 atoms in block 1
Block first atom: 1
Blocpdb> 41 atoms in block 2
Block first atom: 54
Blocpdb> 47 atoms in block 3
Block first atom: 95
Blocpdb> 53 atoms in block 4
Block first atom: 142
Blocpdb> 56 atoms in block 5
Block first atom: 195
Blocpdb> 55 atoms in block 6
Block first atom: 251
Blocpdb> 51 atoms in block 7
Block first atom: 306
Blocpdb> 54 atoms in block 8
Block first atom: 357
Blocpdb> 46 atoms in block 9
Block first atom: 411
Blocpdb> 52 atoms in block 10
Block first atom: 457
Blocpdb> 49 atoms in block 11
Block first atom: 509
Blocpdb> 48 atoms in block 12
Block first atom: 558
Blocpdb> 59 atoms in block 13
Block first atom: 606
Blocpdb> 58 atoms in block 14
Block first atom: 665
Blocpdb> 57 atoms in block 15
Block first atom: 723
Blocpdb> 52 atoms in block 16
Block first atom: 780
Blocpdb> 54 atoms in block 17
Block first atom: 832
Blocpdb> 52 atoms in block 18
Block first atom: 886
Blocpdb> 54 atoms in block 19
Block first atom: 938
Blocpdb> 54 atoms in block 20
Block first atom: 992
Blocpdb> 53 atoms in block 21
Block first atom: 1046
Blocpdb> 46 atoms in block 22
Block first atom: 1099
Blocpdb> 66 atoms in block 23
Block first atom: 1145
Blocpdb> 53 atoms in block 24
Block first atom: 1211
Blocpdb> 56 atoms in block 25
Block first atom: 1264
Blocpdb> 46 atoms in block 26
Block first atom: 1320
Blocpdb> 60 atoms in block 27
Block first atom: 1366
Blocpdb> 50 atoms in block 28
Block first atom: 1426
Blocpdb> 60 atoms in block 29
Block first atom: 1476
Blocpdb> 52 atoms in block 30
Block first atom: 1536
Blocpdb> 58 atoms in block 31
Block first atom: 1588
Blocpdb> 53 atoms in block 32
Block first atom: 1646
Blocpdb> 55 atoms in block 33
Block first atom: 1699
Blocpdb> 49 atoms in block 34
Block first atom: 1754
Blocpdb> 48 atoms in block 35
Block first atom: 1803
Blocpdb> 60 atoms in block 36
Block first atom: 1851
Blocpdb> 53 atoms in block 37
Block first atom: 1911
Blocpdb> 57 atoms in block 38
Block first atom: 1964
Blocpdb> 51 atoms in block 39
Block first atom: 2021
Blocpdb> 44 atoms in block 40
Block first atom: 2072
Blocpdb> 49 atoms in block 41
Block first atom: 2116
Blocpdb> 56 atoms in block 42
Block first atom: 2165
Blocpdb> 60 atoms in block 43
Block first atom: 2221
Blocpdb> 52 atoms in block 44
Block first atom: 2281
Blocpdb> 47 atoms in block 45
Block first atom: 2333
Blocpdb> 53 atoms in block 46
Block first atom: 2380
Blocpdb> 41 atoms in block 47
Block first atom: 2433
Blocpdb> 47 atoms in block 48
Block first atom: 2474
Blocpdb> 53 atoms in block 49
Block first atom: 2521
Blocpdb> 56 atoms in block 50
Block first atom: 2574
Blocpdb> 55 atoms in block 51
Block first atom: 2630
Blocpdb> 51 atoms in block 52
Block first atom: 2685
Blocpdb> 54 atoms in block 53
Block first atom: 2736
Blocpdb> 46 atoms in block 54
Block first atom: 2790
Blocpdb> 52 atoms in block 55
Block first atom: 2836
Blocpdb> 49 atoms in block 56
Block first atom: 2888
Blocpdb> 41 atoms in block 57
Block first atom: 2937
Blocpdb> 66 atoms in block 58
Block first atom: 2978
Blocpdb> 56 atoms in block 59
Block first atom: 3044
Blocpdb> 51 atoms in block 60
Block first atom: 3100
Blocpdb> 55 atoms in block 61
Block first atom: 3151
Blocpdb> 53 atoms in block 62
Block first atom: 3206
Blocpdb> 52 atoms in block 63
Block first atom: 3259
Blocpdb> 60 atoms in block 64
Block first atom: 3311
Blocpdb> 52 atoms in block 65
Block first atom: 3371
Blocpdb> 43 atoms in block 66
Block first atom: 3423
Blocpdb> 61 atoms in block 67
Block first atom: 3466
Blocpdb> 60 atoms in block 68
Block first atom: 3527
Blocpdb> 54 atoms in block 69
Block first atom: 3587
Blocpdb> 49 atoms in block 70
Block first atom: 3641
Blocpdb> 52 atoms in block 71
Block first atom: 3690
Blocpdb> 58 atoms in block 72
Block first atom: 3742
Blocpdb> 56 atoms in block 73
Block first atom: 3800
Blocpdb> 55 atoms in block 74
Block first atom: 3856
Blocpdb> 52 atoms in block 75
Block first atom: 3911
Blocpdb> 59 atoms in block 76
Block first atom: 3963
Blocpdb> 53 atoms in block 77
Block first atom: 4022
Blocpdb> 52 atoms in block 78
Block first atom: 4075
Blocpdb> 47 atoms in block 79
Block first atom: 4127
Blocpdb> 57 atoms in block 80
Block first atom: 4174
Blocpdb> 57 atoms in block 81
Block first atom: 4231
Blocpdb> 48 atoms in block 82
Block first atom: 4288
Blocpdb> 57 atoms in block 83
Block first atom: 4336
Blocpdb> 47 atoms in block 84
Block first atom: 4393
Blocpdb> 45 atoms in block 85
Block first atom: 4440
Blocpdb> 58 atoms in block 86
Block first atom: 4485
Blocpdb> 55 atoms in block 87
Block first atom: 4543
Blocpdb> 55 atoms in block 88
Block first atom: 4598
Blocpdb> 57 atoms in block 89
Block first atom: 4653
Blocpdb> 6 atoms in block 90
Block first atom: 4710
Blocpdb> 50 atoms in block 91
Block first atom: 4716
Blocpdb> 45 atoms in block 92
Block first atom: 4766
Blocpdb> 43 atoms in block 93
Block first atom: 4811
Blocpdb> 53 atoms in block 94
Block first atom: 4854
Blocpdb> 57 atoms in block 95
Block first atom: 4907
Blocpdb> 53 atoms in block 96
Block first atom: 4964
Blocpdb> 53 atoms in block 97
Block first atom: 5017
Blocpdb> 53 atoms in block 98
Block first atom: 5070
Blocpdb> 46 atoms in block 99
Block first atom: 5123
Blocpdb> 56 atoms in block 100
Block first atom: 5169
Blocpdb> 46 atoms in block 101
Block first atom: 5225
Blocpdb> 48 atoms in block 102
Block first atom: 5271
Blocpdb> 48 atoms in block 103
Block first atom: 5319
Blocpdb> 65 atoms in block 104
Block first atom: 5367
Blocpdb> 56 atoms in block 105
Block first atom: 5432
Blocpdb> 51 atoms in block 106
Block first atom: 5488
Blocpdb> 52 atoms in block 107
Block first atom: 5539
Blocpdb> 56 atoms in block 108
Block first atom: 5591
Blocpdb> 53 atoms in block 109
Block first atom: 5647
Blocpdb> 55 atoms in block 110
Block first atom: 5700
Blocpdb> 56 atoms in block 111
Block first atom: 5755
Blocpdb> 43 atoms in block 112
Block first atom: 5811
Blocpdb> 65 atoms in block 113
Block first atom: 5854
Blocpdb> 55 atoms in block 114
Block first atom: 5919
Blocpdb> 52 atoms in block 115
Block first atom: 5974
Blocpdb> 48 atoms in block 116
Block first atom: 6026
Blocpdb> 57 atoms in block 117
Block first atom: 6074
Blocpdb> 53 atoms in block 118
Block first atom: 6131
Blocpdb> 60 atoms in block 119
Block first atom: 6184
Blocpdb> 55 atoms in block 120
Block first atom: 6244
Blocpdb> 55 atoms in block 121
Block first atom: 6299
Blocpdb> 53 atoms in block 122
Block first atom: 6354
Blocpdb> 58 atoms in block 123
Block first atom: 6407
Blocpdb> 49 atoms in block 124
Block first atom: 6465
Blocpdb> 48 atoms in block 125
Block first atom: 6514
Blocpdb> 57 atoms in block 126
Block first atom: 6562
Blocpdb> 55 atoms in block 127
Block first atom: 6619
Blocpdb> 51 atoms in block 128
Block first atom: 6674
Blocpdb> 59 atoms in block 129
Block first atom: 6725
Blocpdb> 44 atoms in block 130
Block first atom: 6784
Blocpdb> 46 atoms in block 131
Block first atom: 6828
Blocpdb> 57 atoms in block 132
Block first atom: 6874
Blocpdb> 58 atoms in block 133
Block first atom: 6931
Blocpdb> 51 atoms in block 134
Block first atom: 6989
Blocpdb> 56 atoms in block 135
Block first atom: 7040
Blocpdb> 53 atoms in block 136
Block first atom: 7096
Blocpdb> 41 atoms in block 137
Block first atom: 7149
Blocpdb> 47 atoms in block 138
Block first atom: 7190
Blocpdb> 53 atoms in block 139
Block first atom: 7237
Blocpdb> 56 atoms in block 140
Block first atom: 7290
Blocpdb> 55 atoms in block 141
Block first atom: 7346
Blocpdb> 51 atoms in block 142
Block first atom: 7401
Blocpdb> 54 atoms in block 143
Block first atom: 7452
Blocpdb> 46 atoms in block 144
Block first atom: 7506
Blocpdb> 52 atoms in block 145
Block first atom: 7552
Blocpdb> 49 atoms in block 146
Block first atom: 7604
Blocpdb> 48 atoms in block 147
Block first atom: 7653
Blocpdb> 67 atoms in block 148
Block first atom: 7701
Blocpdb> 55 atoms in block 149
Block first atom: 7768
Blocpdb> 54 atoms in block 150
Block first atom: 7823
Blocpdb> 54 atoms in block 151
Block first atom: 7877
Blocpdb> 54 atoms in block 152
Block first atom: 7931
Blocpdb> 51 atoms in block 153
Block first atom: 7985
Blocpdb> 59 atoms in block 154
Block first atom: 8036
Blocpdb> 51 atoms in block 155
Block first atom: 8095
Blocpdb> 45 atoms in block 156
Block first atom: 8146
Blocpdb> 55 atoms in block 157
Block first atom: 8191
Blocpdb> 65 atoms in block 158
Block first atom: 8246
Blocpdb> 55 atoms in block 159
Block first atom: 8311
Blocpdb> 49 atoms in block 160
Block first atom: 8366
Blocpdb> 51 atoms in block 161
Block first atom: 8415
Blocpdb> 63 atoms in block 162
Block first atom: 8466
Blocpdb> 47 atoms in block 163
Block first atom: 8529
Blocpdb> 61 atoms in block 164
Block first atom: 8576
Blocpdb> 53 atoms in block 165
Block first atom: 8637
Blocpdb> 57 atoms in block 166
Block first atom: 8690
Blocpdb> 52 atoms in block 167
Block first atom: 8747
Blocpdb> 56 atoms in block 168
Block first atom: 8799
Blocpdb> 42 atoms in block 169
Block first atom: 8855
Blocpdb> 57 atoms in block 170
Block first atom: 8897
Blocpdb> 58 atoms in block 171
Block first atom: 8954
Blocpdb> 51 atoms in block 172
Block first atom: 9012
Blocpdb> 54 atoms in block 173
Block first atom: 9063
Blocpdb> 49 atoms in block 174
Block first atom: 9117
Blocpdb> 43 atoms in block 175
Block first atom: 9166
Blocpdb> 57 atoms in block 176
Block first atom: 9209
Blocpdb> 58 atoms in block 177
Block first atom: 9266
Blocpdb> 55 atoms in block 178
Block first atom: 9324
Blocpdb> 58 atoms in block 179
Block first atom: 9379
Blocpdb> 19 atoms in block 180
Block first atom: 9437
Blocpdb> 147 atoms in block 181
Block first atom: 9456
Blocpdb> 146 atoms in block 182
Block first atom: 9603
Blocpdb> 145 atoms in block 183
Block first atom: 9749
Blocpdb> 121 atoms in block 184
Block first atom: 9894
Blocpdb> 147 atoms in block 185
Block first atom: 10015
Blocpdb> 146 atoms in block 186
Block first atom: 10162
Blocpdb> 145 atoms in block 187
Block first atom: 10308
Blocpdb> 121 atoms in block 188
Block first atom: 10452
Blocpdb> 188 blocks.
Blocpdb> At most, 147 atoms in each of them.
Blocpdb> At least, 6 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> 4181056 matrix lines read.
Prepmat> Matrix order = 31719
Prepmat> Matrix trace = 9151400.0000
Prepmat> Last element read: 31719 31719 171.9527
Prepmat> 17767 lines saved.
Prepmat> 16046 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: 10573
RTB> Total mass = 10573.0000
RTB> Number of atoms found in matrix: 10573
RTB> Number of blocks = 188
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 215561.8689
RTB> 59100 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 = 1128
Diagstd> Nb of non-zero elements: 59100
Diagstd> Projected matrix trace = 215561.8689
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1128 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 215561.8689
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 1.0823390 1.1547857 1.9033115 2.3370633
3.2821484 3.4947368 3.7722328 3.9675298 4.5557824
4.8421962 4.9920983 5.2924421 6.2610762 6.4522663
6.5772763 7.3040654 7.7029714 8.0818089 8.4662932
8.9545115 9.2228448 9.4998955 10.6253379 10.6548228
11.3707905 11.8055303 13.0139856 13.6625171 14.1624228
14.6604905 14.9560423 15.6639254 15.9561025 16.1010110
17.0428103 17.4517840 18.2962036 18.4529640 18.9158069
19.0236533 19.2078462 20.1713169 20.6575617 20.9674556
21.3625908 22.6594836 23.1186833 23.3973465 23.8983366
24.4450110 24.6818866 25.0262343 25.3514426 25.4937285
26.2917558 26.4453844 26.9234258 27.7352840 28.3479154
28.7176818 29.3758097 29.5637422 29.7474803 30.6483792
30.7549425 31.0207412 31.3416291 32.0317030 32.8407523
33.0486012 33.8030162 33.9829563 34.4722843 35.1645197
35.5367920 35.6918274 36.2967065 36.8199101 36.9448748
37.1283396 37.9195432 38.6031548 39.2005851 39.4790513
39.8687009 40.5400343 40.7866010 41.0376554 41.5837781
42.1581840 42.4654662 42.9824002 43.4782330 43.6734344
44.1446606 44.2943566 45.1297570 45.8413032 45.9309220
46.5854831
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034335 0.0034336 0.0034337 0.0034342 0.0034345
0.0034348 112.9735925 116.6933134 149.8132455 166.0085729
196.7317184 203.0030286 210.9087140 216.2994308 231.7804308
238.9551932 242.6257249 249.8177770 271.7188537 275.8363018
278.4955905 293.4793884 301.3869353 308.7091974 315.9671498
324.9497662 329.7825953 334.6992149 353.9701629 354.4609496
366.1766178 373.1109804 391.7422744 401.3845386 408.6618139
415.7856827 419.9558374 429.7793889 433.7691775 435.7344063
448.2970541 453.6440242 464.4893621 466.4749723 472.2888762
473.6333132 475.9207223 487.7108379 493.5541517 497.2423917
501.9058309 516.9163686 522.1278126 525.2651453 530.8589177
536.8962849 539.4913138 543.2416177 546.7598544 548.2920616
556.8074981 558.4319040 563.4565610 571.8887973 578.1703876
581.9289590 588.5592691 590.4389285 592.2708697 601.1724041
602.2166245 604.8133453 607.9334829 614.5897246 622.3029058
624.2690754 631.3541024 633.0322838 637.5735787 643.9432945
647.3429022 648.7534379 654.2276426 658.9259964 660.0432286
661.6800558 668.6930799 674.6937378 679.8945422 682.3051261
685.6639600 691.4126737 693.5120911 695.6432104 700.2566674
705.0764804 707.6413925 711.9354390 716.0300077 717.6355639
721.4967375 722.7190114 729.5024884 735.2309119 735.9492417
741.1746930
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10573
Rtb_to_modes> Number of blocs = 188
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: 9.9972E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9980E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.082
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.155
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.903
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.337
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.282
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.495
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.772
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.968
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.556
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.842
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.992
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.292
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.261
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.452
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.577
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.304
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.703
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.082
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.466
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.955
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.223
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 9.500
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.63
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 10.65
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.81
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 13.66
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 14.16
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.66
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 14.96
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 15.66
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.96
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 16.10
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 17.04
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 17.45
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.30
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.45
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.02
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 19.21
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.17
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 22.66
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.40
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 23.90
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 24.45
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.68
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 25.03
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 25.35
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 25.49
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 26.29
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 26.45
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 26.92
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 28.35
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 28.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 29.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 29.56
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.65
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 31.34
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 32.03
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 32.84
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.05
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 33.80
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 33.98
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 34.47
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.16
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 35.54
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 35.69
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 36.30
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 36.82
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 36.94
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 37.13
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 37.92
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.20
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 39.48
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 39.87
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 40.54
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 40.79
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 41.04
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 41.58
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 42.16
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 42.47
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 42.98
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 43.48
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.67
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 44.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 44.29
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 45.13
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 45.84
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 45.93
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 46.59
Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 1.00000
1.00000 0.99999 1.00003 0.99998 1.00000
1.00000 0.99998 0.99997 1.00000 0.99998
0.99998 0.99999 0.99998 1.00001 1.00001
0.99997 0.99999 0.99999 1.00000 1.00003
1.00001 1.00000 1.00000 1.00000 1.00002
0.99999 1.00001 0.99999 1.00000 1.00003
0.99999 0.99999 0.99998 0.99999 0.99998
0.99998 0.99998 1.00002 1.00001 1.00000
1.00002 1.00001 1.00002 1.00000 1.00000
0.99999 1.00000 0.99999 1.00001 0.99999
1.00002 0.99999 0.99999 0.99999 0.99998
1.00000 1.00000 1.00000 0.99999 1.00001
1.00001 1.00000 0.99998 1.00001 1.00000
0.99999 1.00000 1.00002 1.00000 1.00000
1.00000 1.00001 1.00001 1.00001 0.99999
1.00000 0.99998 1.00003 1.00001 1.00001
0.99999 1.00001 0.99997 1.00000 1.00000
1.00001 0.99999 1.00001 1.00001 0.99999
0.99999 1.00000 1.00002 1.00000 1.00000
0.99998 1.00003 1.00001 0.99999 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 190314 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 1.00000
1.00000 0.99999 1.00003 0.99998 1.00000
1.00000 0.99998 0.99997 1.00000 0.99998
0.99998 0.99999 0.99998 1.00001 1.00001
0.99997 0.99999 0.99999 1.00000 1.00003
1.00001 1.00000 1.00000 1.00000 1.00002
0.99999 1.00001 0.99999 1.00000 1.00003
0.99999 0.99999 0.99998 0.99999 0.99998
0.99998 0.99998 1.00002 1.00001 1.00000
1.00002 1.00001 1.00002 1.00000 1.00000
0.99999 1.00000 0.99999 1.00001 0.99999
1.00002 0.99999 0.99999 0.99999 0.99998
1.00000 1.00000 1.00000 0.99999 1.00001
1.00001 1.00000 0.99998 1.00001 1.00000
0.99999 1.00000 1.00002 1.00000 1.00000
1.00000 1.00001 1.00001 1.00001 0.99999
1.00000 0.99998 1.00003 1.00001 1.00001
0.99999 1.00001 0.99997 1.00000 1.00000
1.00001 0.99999 1.00001 1.00001 0.99999
0.99999 1.00000 1.00002 1.00000 1.00000
0.99998 1.00003 1.00001 0.99999 1.00002
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> 2404121838403870988.eigenfacs
Openam> file on opening on unit 10:
2404121838403870988.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404121838403870988.atom
Openam> file on opening on unit 11:
2404121838403870988.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 = 1302
First residue number = 3
Last residue number = 27
Number of atoms found = 10573
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 10.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 13.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 14.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 16.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 17.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 17.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 22.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 23.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 25.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 25.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 25.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 26.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 26.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 26.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 28.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 28.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 29.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 29.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 31.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 32.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 32.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 33.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 33.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 34.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 35.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 35.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 36.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 36.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 36.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 37.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 37.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 39.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 39.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 40.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 40.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 41.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 41.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 42.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 42.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 43.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 44.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 44.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 45.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 45.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 45.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 46.59
Bfactors> 106 vectors, 31719 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 : 1.082000
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= 0.749 for 1248 C-alpha atoms.
Bfactors> = 0.010 +/- 0.01
Bfactors> = 31.415 +/- 8.43
Bfactors> Shiftng-fct= 31.405
Bfactors> Scaling-fct= 878.261
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404121838403870988 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=0
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=100
2404121838403870988.eigenfacs
2404121838403870988.atom
making animated gifs
11 models are in 2404121838403870988.7.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 2404121838403870988.7.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 2404121838403870988.7.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 2404121838403870988 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=0
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=100
2404121838403870988.eigenfacs
2404121838403870988.atom
making animated gifs
11 models are in 2404121838403870988.8.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 2404121838403870988.8.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 2404121838403870988.8.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 2404121838403870988 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=0
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=100
2404121838403870988.eigenfacs
2404121838403870988.atom
making animated gifs
11 models are in 2404121838403870988.9.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 2404121838403870988.9.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 2404121838403870988.9.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 2404121838403870988 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=0
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=100
2404121838403870988.eigenfacs
2404121838403870988.atom
making animated gifs
11 models are in 2404121838403870988.10.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 2404121838403870988.10.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 2404121838403870988.10.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 2404121838403870988 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=-20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=0
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=20
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=40
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=60
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=80
2404121838403870988.eigenfacs
2404121838403870988.atom
calculating perturbed structure for DQ=100
2404121838403870988.eigenfacs
2404121838403870988.atom
making animated gifs
11 models are in 2404121838403870988.11.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 2404121838403870988.11.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 2404121838403870988.11.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
2404121838403870988.10.pdb
2404121838403870988.11.pdb
2404121838403870988.7.pdb
2404121838403870988.8.pdb
2404121838403870988.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.989s
user 0m57.816s
sys 0m0.172s
../../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: 2404121838403870988.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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