*** silk ***
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 = 2402290846441031304.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 2402290846441031304.atom to be opened.
Openam> File opened: 2402290846441031304.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 = 900
First residue number = 1
Last residue number = 60
Number of atoms found = 9555
Mean number per residue = 10.6
Pdbmat> Coordinate statistics:
= -0.042232 +/- 59.675680 From: -105.365000 To: 104.588000
= -8.526216 +/- 7.459993 From: -27.763000 To: 9.000000
= -4.617316 +/- 5.596905 From: -21.102000 To: 11.152000
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 1.5929 % Filled.
Pdbmat> 6544604 non-zero elements.
Pdbmat> 720936 atom-atom interactions.
Pdbmat> Number per atom= 150.90 +/- 42.60
Maximum number = 256
Minimum number = 17
Pdbmat> Matrix trace = 1.441872E+07
Pdbmat> Larger element = 891.918
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
900 non-zero elements, NRBL set to 5
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 = 2402290846441031304.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 2402290846441031304.atom to be opened.
Openam> file on opening on unit 11:
2402290846441031304.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9555 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 900 residues.
Blocpdb> 50 atoms in block 1
Block first atom: 1
Blocpdb> 49 atoms in block 2
Block first atom: 51
Blocpdb> 61 atoms in block 3
Block first atom: 100
Blocpdb> 55 atoms in block 4
Block first atom: 161
Blocpdb> 57 atoms in block 5
Block first atom: 216
Blocpdb> 47 atoms in block 6
Block first atom: 273
Blocpdb> 44 atoms in block 7
Block first atom: 320
Blocpdb> 48 atoms in block 8
Block first atom: 364
Blocpdb> 61 atoms in block 9
Block first atom: 412
Blocpdb> 52 atoms in block 10
Block first atom: 473
Blocpdb> 64 atoms in block 11
Block first atom: 525
Blocpdb> 49 atoms in block 12
Block first atom: 589
Blocpdb> 50 atoms in block 13
Block first atom: 638
Blocpdb> 49 atoms in block 14
Block first atom: 688
Blocpdb> 61 atoms in block 15
Block first atom: 737
Blocpdb> 55 atoms in block 16
Block first atom: 798
Blocpdb> 57 atoms in block 17
Block first atom: 853
Blocpdb> 47 atoms in block 18
Block first atom: 910
Blocpdb> 44 atoms in block 19
Block first atom: 957
Blocpdb> 48 atoms in block 20
Block first atom: 1001
Blocpdb> 61 atoms in block 21
Block first atom: 1049
Blocpdb> 52 atoms in block 22
Block first atom: 1110
Blocpdb> 64 atoms in block 23
Block first atom: 1162
Blocpdb> 49 atoms in block 24
Block first atom: 1226
Blocpdb> 50 atoms in block 25
Block first atom: 1275
Blocpdb> 49 atoms in block 26
Block first atom: 1325
Blocpdb> 61 atoms in block 27
Block first atom: 1374
Blocpdb> 55 atoms in block 28
Block first atom: 1435
Blocpdb> 57 atoms in block 29
Block first atom: 1490
Blocpdb> 47 atoms in block 30
Block first atom: 1547
Blocpdb> 44 atoms in block 31
Block first atom: 1594
Blocpdb> 48 atoms in block 32
Block first atom: 1638
Blocpdb> 61 atoms in block 33
Block first atom: 1686
Blocpdb> 52 atoms in block 34
Block first atom: 1747
Blocpdb> 64 atoms in block 35
Block first atom: 1799
Blocpdb> 49 atoms in block 36
Block first atom: 1863
Blocpdb> 50 atoms in block 37
Block first atom: 1912
Blocpdb> 49 atoms in block 38
Block first atom: 1962
Blocpdb> 61 atoms in block 39
Block first atom: 2011
Blocpdb> 55 atoms in block 40
Block first atom: 2072
Blocpdb> 57 atoms in block 41
Block first atom: 2127
Blocpdb> 47 atoms in block 42
Block first atom: 2184
Blocpdb> 44 atoms in block 43
Block first atom: 2231
Blocpdb> 48 atoms in block 44
Block first atom: 2275
Blocpdb> 61 atoms in block 45
Block first atom: 2323
Blocpdb> 52 atoms in block 46
Block first atom: 2384
Blocpdb> 64 atoms in block 47
Block first atom: 2436
Blocpdb> 49 atoms in block 48
Block first atom: 2500
Blocpdb> 50 atoms in block 49
Block first atom: 2549
Blocpdb> 49 atoms in block 50
Block first atom: 2599
Blocpdb> 61 atoms in block 51
Block first atom: 2648
Blocpdb> 55 atoms in block 52
Block first atom: 2709
Blocpdb> 57 atoms in block 53
Block first atom: 2764
Blocpdb> 47 atoms in block 54
Block first atom: 2821
Blocpdb> 44 atoms in block 55
Block first atom: 2868
Blocpdb> 48 atoms in block 56
Block first atom: 2912
Blocpdb> 61 atoms in block 57
Block first atom: 2960
Blocpdb> 52 atoms in block 58
Block first atom: 3021
Blocpdb> 64 atoms in block 59
Block first atom: 3073
Blocpdb> 49 atoms in block 60
Block first atom: 3137
Blocpdb> 50 atoms in block 61
Block first atom: 3186
Blocpdb> 49 atoms in block 62
Block first atom: 3236
Blocpdb> 61 atoms in block 63
Block first atom: 3285
Blocpdb> 55 atoms in block 64
Block first atom: 3346
Blocpdb> 57 atoms in block 65
Block first atom: 3401
Blocpdb> 47 atoms in block 66
Block first atom: 3458
Blocpdb> 44 atoms in block 67
Block first atom: 3505
Blocpdb> 48 atoms in block 68
Block first atom: 3549
Blocpdb> 61 atoms in block 69
Block first atom: 3597
Blocpdb> 52 atoms in block 70
Block first atom: 3658
Blocpdb> 64 atoms in block 71
Block first atom: 3710
Blocpdb> 49 atoms in block 72
Block first atom: 3774
Blocpdb> 50 atoms in block 73
Block first atom: 3823
Blocpdb> 49 atoms in block 74
Block first atom: 3873
Blocpdb> 61 atoms in block 75
Block first atom: 3922
Blocpdb> 55 atoms in block 76
Block first atom: 3983
Blocpdb> 57 atoms in block 77
Block first atom: 4038
Blocpdb> 47 atoms in block 78
Block first atom: 4095
Blocpdb> 44 atoms in block 79
Block first atom: 4142
Blocpdb> 48 atoms in block 80
Block first atom: 4186
Blocpdb> 61 atoms in block 81
Block first atom: 4234
Blocpdb> 52 atoms in block 82
Block first atom: 4295
Blocpdb> 64 atoms in block 83
Block first atom: 4347
Blocpdb> 49 atoms in block 84
Block first atom: 4411
Blocpdb> 50 atoms in block 85
Block first atom: 4460
Blocpdb> 49 atoms in block 86
Block first atom: 4510
Blocpdb> 61 atoms in block 87
Block first atom: 4559
Blocpdb> 55 atoms in block 88
Block first atom: 4620
Blocpdb> 57 atoms in block 89
Block first atom: 4675
Blocpdb> 47 atoms in block 90
Block first atom: 4732
Blocpdb> 44 atoms in block 91
Block first atom: 4779
Blocpdb> 48 atoms in block 92
Block first atom: 4823
Blocpdb> 61 atoms in block 93
Block first atom: 4871
Blocpdb> 52 atoms in block 94
Block first atom: 4932
Blocpdb> 64 atoms in block 95
Block first atom: 4984
Blocpdb> 49 atoms in block 96
Block first atom: 5048
Blocpdb> 50 atoms in block 97
Block first atom: 5097
Blocpdb> 49 atoms in block 98
Block first atom: 5147
Blocpdb> 61 atoms in block 99
Block first atom: 5196
Blocpdb> 55 atoms in block 100
Block first atom: 5257
Blocpdb> 57 atoms in block 101
Block first atom: 5312
Blocpdb> 47 atoms in block 102
Block first atom: 5369
Blocpdb> 44 atoms in block 103
Block first atom: 5416
Blocpdb> 48 atoms in block 104
Block first atom: 5460
Blocpdb> 61 atoms in block 105
Block first atom: 5508
Blocpdb> 52 atoms in block 106
Block first atom: 5569
Blocpdb> 64 atoms in block 107
Block first atom: 5621
Blocpdb> 49 atoms in block 108
Block first atom: 5685
Blocpdb> 50 atoms in block 109
Block first atom: 5734
Blocpdb> 49 atoms in block 110
Block first atom: 5784
Blocpdb> 61 atoms in block 111
Block first atom: 5833
Blocpdb> 55 atoms in block 112
Block first atom: 5894
Blocpdb> 57 atoms in block 113
Block first atom: 5949
Blocpdb> 47 atoms in block 114
Block first atom: 6006
Blocpdb> 44 atoms in block 115
Block first atom: 6053
Blocpdb> 48 atoms in block 116
Block first atom: 6097
Blocpdb> 61 atoms in block 117
Block first atom: 6145
Blocpdb> 52 atoms in block 118
Block first atom: 6206
Blocpdb> 64 atoms in block 119
Block first atom: 6258
Blocpdb> 49 atoms in block 120
Block first atom: 6322
Blocpdb> 50 atoms in block 121
Block first atom: 6371
Blocpdb> 49 atoms in block 122
Block first atom: 6421
Blocpdb> 61 atoms in block 123
Block first atom: 6470
Blocpdb> 55 atoms in block 124
Block first atom: 6531
Blocpdb> 57 atoms in block 125
Block first atom: 6586
Blocpdb> 47 atoms in block 126
Block first atom: 6643
Blocpdb> 44 atoms in block 127
Block first atom: 6690
Blocpdb> 48 atoms in block 128
Block first atom: 6734
Blocpdb> 61 atoms in block 129
Block first atom: 6782
Blocpdb> 52 atoms in block 130
Block first atom: 6843
Blocpdb> 64 atoms in block 131
Block first atom: 6895
Blocpdb> 49 atoms in block 132
Block first atom: 6959
Blocpdb> 50 atoms in block 133
Block first atom: 7008
Blocpdb> 49 atoms in block 134
Block first atom: 7058
Blocpdb> 61 atoms in block 135
Block first atom: 7107
Blocpdb> 55 atoms in block 136
Block first atom: 7168
Blocpdb> 57 atoms in block 137
Block first atom: 7223
Blocpdb> 47 atoms in block 138
Block first atom: 7280
Blocpdb> 44 atoms in block 139
Block first atom: 7327
Blocpdb> 48 atoms in block 140
Block first atom: 7371
Blocpdb> 61 atoms in block 141
Block first atom: 7419
Blocpdb> 52 atoms in block 142
Block first atom: 7480
Blocpdb> 64 atoms in block 143
Block first atom: 7532
Blocpdb> 49 atoms in block 144
Block first atom: 7596
Blocpdb> 50 atoms in block 145
Block first atom: 7645
Blocpdb> 49 atoms in block 146
Block first atom: 7695
Blocpdb> 61 atoms in block 147
Block first atom: 7744
Blocpdb> 55 atoms in block 148
Block first atom: 7805
Blocpdb> 57 atoms in block 149
Block first atom: 7860
Blocpdb> 47 atoms in block 150
Block first atom: 7917
Blocpdb> 44 atoms in block 151
Block first atom: 7964
Blocpdb> 48 atoms in block 152
Block first atom: 8008
Blocpdb> 61 atoms in block 153
Block first atom: 8056
Blocpdb> 52 atoms in block 154
Block first atom: 8117
Blocpdb> 64 atoms in block 155
Block first atom: 8169
Blocpdb> 49 atoms in block 156
Block first atom: 8233
Blocpdb> 50 atoms in block 157
Block first atom: 8282
Blocpdb> 49 atoms in block 158
Block first atom: 8332
Blocpdb> 61 atoms in block 159
Block first atom: 8381
Blocpdb> 55 atoms in block 160
Block first atom: 8442
Blocpdb> 57 atoms in block 161
Block first atom: 8497
Blocpdb> 47 atoms in block 162
Block first atom: 8554
Blocpdb> 44 atoms in block 163
Block first atom: 8601
Blocpdb> 48 atoms in block 164
Block first atom: 8645
Blocpdb> 61 atoms in block 165
Block first atom: 8693
Blocpdb> 52 atoms in block 166
Block first atom: 8754
Blocpdb> 64 atoms in block 167
Block first atom: 8806
Blocpdb> 49 atoms in block 168
Block first atom: 8870
Blocpdb> 50 atoms in block 169
Block first atom: 8919
Blocpdb> 49 atoms in block 170
Block first atom: 8969
Blocpdb> 61 atoms in block 171
Block first atom: 9018
Blocpdb> 55 atoms in block 172
Block first atom: 9079
Blocpdb> 57 atoms in block 173
Block first atom: 9134
Blocpdb> 47 atoms in block 174
Block first atom: 9191
Blocpdb> 44 atoms in block 175
Block first atom: 9238
Blocpdb> 48 atoms in block 176
Block first atom: 9282
Blocpdb> 61 atoms in block 177
Block first atom: 9330
Blocpdb> 52 atoms in block 178
Block first atom: 9391
Blocpdb> 64 atoms in block 179
Block first atom: 9443
Blocpdb> 49 atoms in block 180
Block first atom: 9506
Blocpdb> 180 blocks.
Blocpdb> At most, 64 atoms in each of them.
Blocpdb> At least, 44 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 6544784 matrix lines read.
Prepmat> Matrix order = 28665
Prepmat> Matrix trace = 14418720.0000
Prepmat> Last element read: 28665 28665 326.8517
Prepmat> 16291 lines saved.
Prepmat> 14093 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: 9555
RTB> Total mass = 9555.0000
RTB> Number of atoms found in matrix: 9555
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 441399.9529
RTB> 76392 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 = 1080
Diagstd> Nb of non-zero elements: 76392
Diagstd> Projected matrix trace = 441399.9529
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 441399.9529
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0989167 0.1968612 0.3895049 0.7675432
1.2040949 2.4544748 2.7530542 3.7872735 3.9394487
4.6439404 5.5970413 7.4859785 9.2080522 11.3251199
12.2938002 14.2489580 16.1387200 16.6676417 17.6548384
19.2221421 24.9501232 27.1038013 27.3807123 31.1405741
32.2854636 33.6922912 34.9993182 36.3052451 37.3634560
42.5104687 44.0286813 45.9264499 47.7569066 48.6342556
50.3172313 51.6486235 53.5106510 54.4051732 55.8933935
57.9977934 59.3255819 60.8357697 61.6562440 62.1974023
63.4950125 65.7479548 67.7283104 70.4188521 71.7212260
72.7301521 74.3207391 75.8297652 76.9276656 77.5761990
78.6212931 79.6302723 80.7265458 81.0472661 83.7659888
84.7566198 85.6197980 86.2773075 87.4801765 87.9311106
89.1252933 90.7339603 90.9091174 91.4866104 92.1776114
93.9899757 94.5757431 95.6573021 96.5230149 97.5777866
98.0670255 98.8612460 101.3596623 102.3494866 103.8800609
105.9578435 106.1365010 107.6930208 108.3491996 109.0062075
110.3694562 110.8385625 112.6111877 113.0300250 115.3182198
115.7362799 116.2344186 117.2018139 118.4823186 119.9973724
120.3471670 121.5170068 122.3272658 123.8743435 125.1756282
126.0828678
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034304 0.0034319 0.0034328 0.0034339 0.0034340
0.0034343 34.1530983 48.1809424 67.7722233 95.1363976
119.1586653 170.1275190 180.1783742 211.3287649 215.5326178
234.0122527 256.9061708 297.1115716 329.5180185 365.4405064
380.7486354 409.9084139 436.2443585 443.3353467 456.2755038
476.0977972 542.4149203 565.3408699 568.2214852 605.9804141
617.0193642 630.3192243 642.4289043 654.3045902 663.7718042
708.0162526 720.5483354 735.9134127 750.4355062 757.2973142
770.2889155 780.4132893 794.3563976 800.9683933 811.8494843
826.9914425 836.4043515 846.9831763 852.6755551 856.4093566
865.2967783 880.5142814 893.6766298 911.2546364 919.6427100
926.0885786 936.1604513 945.6167051 952.4376550 956.4439590
962.8649358 969.0236593 975.6711543 977.6073656 993.8689892
999.7285489 1004.8063705 1008.6571514 1015.6641085 1018.2784658
1025.1697109 1034.3802360 1035.3781625 1038.6615355 1042.5766771
1052.7761775 1056.0516549 1062.0729408 1066.8680754 1072.6814283
1075.3671897 1079.7129748 1093.2710744 1098.5962556 1106.7801919
1117.7941582 1118.7361283 1126.9095512 1130.3374949 1133.7593856
1140.8268436 1143.2487170 1152.3543609 1154.4953609 1166.1226879
1168.2345323 1170.7459228 1175.6077677 1182.0124541 1189.5457468
1191.2782590 1197.0541924 1201.0384597 1208.6093875 1214.9409492
1219.3357844
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9555
Rtb_to_modes> Number of blocs = 180
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: 9.9794E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9879E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.8917E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1969
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3895
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.7675
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.204
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.454
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.753
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.787
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.939
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.644
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.597
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.486
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.208
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.33
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.29
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.14
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.67
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.65
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.22
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 24.95
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 27.10
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 27.38
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 31.14
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 32.29
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 33.69
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 35.00
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 36.31
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 37.36
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 42.51
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 45.93
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 47.76
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 48.63
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 50.32
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 51.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 53.51
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 54.41
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 55.89
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 58.00
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 59.33
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 60.84
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 61.66
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 62.20
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 63.50
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 65.75
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 67.73
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 70.42
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 71.72
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 72.73
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 74.32
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 75.83
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 77.58
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 78.62
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 79.63
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 80.73
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 81.05
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 83.77
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 84.76
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 85.62
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 86.28
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 87.48
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 87.93
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 89.13
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 90.73
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 90.91
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 91.49
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 92.18
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 93.99
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 94.58
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 95.66
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 96.52
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 97.58
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 98.07
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 98.86
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 102.3
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 106.0
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 106.1
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 107.7
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 108.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 109.0
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 110.4
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 110.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 112.6
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 113.0
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 115.3
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 115.7
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 117.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 118.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 120.0
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 120.3
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 121.5
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 122.3
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 123.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 125.2
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 126.1
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00003 1.00000 1.00000
0.99999 0.99999 1.00001 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 1.00000
1.00001 1.00000 1.00000 1.00001 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
0.99999 1.00000 1.00000 1.00002 1.00000
1.00000 1.00000 1.00001 1.00001 0.99998
1.00001 1.00001 0.99998 0.99999 0.99998
0.99999 1.00001 0.99999 1.00001 1.00002
1.00000 1.00001 0.99999 0.99999 0.99996
1.00001 1.00002 0.99998 0.99999 1.00002
0.99999 1.00000 1.00001 1.00000 0.99998
1.00000 0.99998 0.99998 1.00003 1.00000
0.99997 1.00001 1.00000 1.00000 0.99999
1.00001 0.99998 1.00000 0.99998 1.00000
1.00001 1.00000 1.00002 1.00003 1.00000
0.99998 1.00001 1.00001 0.99999 0.99999
1.00000 1.00001 0.99999 1.00000 0.99999
1.00001 1.00000 0.99999 0.99998 1.00001
1.00002 1.00000 0.99999 1.00001 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 171990 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00003 1.00000 1.00000
0.99999 0.99999 1.00001 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 1.00000
1.00001 1.00000 1.00000 1.00001 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
0.99999 1.00000 1.00000 1.00002 1.00000
1.00000 1.00000 1.00001 1.00001 0.99998
1.00001 1.00001 0.99998 0.99999 0.99998
0.99999 1.00001 0.99999 1.00001 1.00002
1.00000 1.00001 0.99999 0.99999 0.99996
1.00001 1.00002 0.99998 0.99999 1.00002
0.99999 1.00000 1.00001 1.00000 0.99998
1.00000 0.99998 0.99998 1.00003 1.00000
0.99997 1.00001 1.00000 1.00000 0.99999
1.00001 0.99998 1.00000 0.99998 1.00000
1.00001 1.00000 1.00002 1.00003 1.00000
0.99998 1.00001 1.00001 0.99999 0.99999
1.00000 1.00001 0.99999 1.00000 0.99999
1.00001 1.00000 0.99999 0.99998 1.00001
1.00002 1.00000 0.99999 1.00001 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000-0.000-0.000
Vector 6: 0.000-0.000-0.000 0.000 0.000
Vector 7: 0.000 0.000 0.000 0.000-0.000 0.000
Vector 8:-0.000-0.000 0.000-0.000-0.000 0.000-0.000
Vector 9: 0.000 0.000 0.000 0.000-0.000 0.000 0.000 0.000
Vector 10:-0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402290846441031304.eigenfacs
Openam> file on opening on unit 10:
2402290846441031304.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402290846441031304.atom
Openam> file on opening on unit 11:
2402290846441031304.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 = 900
First residue number = 1
Last residue number = 60
Number of atoms found = 9555
Mean number per residue = 10.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9794E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9879E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8917E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.939
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 24.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 27.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 27.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 31.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 32.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 33.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 35.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 36.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 37.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 42.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 45.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 47.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 48.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 50.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 51.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 53.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 54.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 55.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 58.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 59.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 60.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 61.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 62.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 63.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 65.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 67.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 70.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 71.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 72.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 74.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 75.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 77.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 78.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 79.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 80.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 81.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 83.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 84.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 85.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 86.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 87.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 87.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 89.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 90.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 90.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 91.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 92.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 93.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 94.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 95.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 96.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 97.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 98.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 98.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 102.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 106.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 106.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 107.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 108.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 109.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 110.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 110.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 112.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 113.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 115.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 115.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 117.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 118.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 120.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 120.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 121.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 122.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 123.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 125.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 126.1
Bfactors> 106 vectors, 28665 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.098917
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.039 +/- 0.03
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.039
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402290846441031304 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=0
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=100
2402290846441031304.eigenfacs
2402290846441031304.atom
making animated gifs
11 models are in 2402290846441031304.7.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 2402290846441031304.7.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 2402290846441031304.7.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 2402290846441031304 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=0
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=100
2402290846441031304.eigenfacs
2402290846441031304.atom
making animated gifs
11 models are in 2402290846441031304.8.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 2402290846441031304.8.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 2402290846441031304.8.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 2402290846441031304 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=0
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=100
2402290846441031304.eigenfacs
2402290846441031304.atom
making animated gifs
11 models are in 2402290846441031304.9.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 2402290846441031304.9.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 2402290846441031304.9.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 2402290846441031304 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=0
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=100
2402290846441031304.eigenfacs
2402290846441031304.atom
making animated gifs
11 models are in 2402290846441031304.10.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 2402290846441031304.10.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 2402290846441031304.10.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 2402290846441031304 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=-20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=0
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=20
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=40
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=60
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=80
2402290846441031304.eigenfacs
2402290846441031304.atom
calculating perturbed structure for DQ=100
2402290846441031304.eigenfacs
2402290846441031304.atom
making animated gifs
11 models are in 2402290846441031304.11.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 2402290846441031304.11.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 2402290846441031304.11.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
2402290846441031304.10.pdb
2402290846441031304.11.pdb
2402290846441031304.7.pdb
2402290846441031304.8.pdb
2402290846441031304.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m49.821s
user 0m49.575s
sys 0m0.200s
../../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: 2402290846441031304.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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