*** rec.pdb ***
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 = 2402080425331901406.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 2402080425331901406.atom to be opened.
Openam> File opened: 2402080425331901406.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 = 1644
First residue number = 27
Last residue number = 158
Number of atoms found = 15883
Mean number per residue = 9.7
Pdbmat> Coordinate statistics:
= -25.501012 +/- 17.392006 From: -67.296000 To: 23.526000
= -3.126631 +/- 19.785426 From: -54.641000 To: 41.694000
= -29.575611 +/- 31.375821 From: -100.620000 To: 34.978000
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 -0.7505 % Filled.
Pdbmat> 7596618 non-zero elements.
Pdbmat> 833615 atom-atom interactions.
Pdbmat> Number per atom= 104.97 +/- 25.49
Maximum number = 168
Minimum number = 11
Pdbmat> Matrix trace = 1.667230E+07
Pdbmat> Larger element = 627.309
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1644 non-zero elements, NRBL set to 9
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 = 2402080425331901406.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 9
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 2402080425331901406.atom to be opened.
Openam> file on opening on unit 11:
2402080425331901406.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 15883 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 9 residue(s) per block.
Blocpdb> 1644 residues.
Blocpdb> 76 atoms in block 1
Block first atom: 1
Blocpdb> 90 atoms in block 2
Block first atom: 77
Blocpdb> 91 atoms in block 3
Block first atom: 167
Blocpdb> 88 atoms in block 4
Block first atom: 258
Blocpdb> 90 atoms in block 5
Block first atom: 346
Blocpdb> 92 atoms in block 6
Block first atom: 436
Blocpdb> 89 atoms in block 7
Block first atom: 528
Blocpdb> 83 atoms in block 8
Block first atom: 617
Blocpdb> 84 atoms in block 9
Block first atom: 700
Blocpdb> 79 atoms in block 10
Block first atom: 784
Blocpdb> 69 atoms in block 11
Block first atom: 863
Blocpdb> 81 atoms in block 12
Block first atom: 932
Blocpdb> 83 atoms in block 13
Block first atom: 1013
Blocpdb> 85 atoms in block 14
Block first atom: 1096
Blocpdb> 89 atoms in block 15
Block first atom: 1181
Blocpdb> 94 atoms in block 16
Block first atom: 1270
Blocpdb> 91 atoms in block 17
Block first atom: 1364
Blocpdb> 88 atoms in block 18
Block first atom: 1455
Blocpdb> 90 atoms in block 19
Block first atom: 1543
Blocpdb> 87 atoms in block 20
Block first atom: 1633
Blocpdb> 79 atoms in block 21
Block first atom: 1720
Blocpdb> 87 atoms in block 22
Block first atom: 1799
Blocpdb> 97 atoms in block 23
Block first atom: 1886
Blocpdb> 96 atoms in block 24
Block first atom: 1983
Blocpdb> 79 atoms in block 25
Block first atom: 2079
Blocpdb> 87 atoms in block 26
Block first atom: 2158
Blocpdb> 90 atoms in block 27
Block first atom: 2245
Blocpdb> 90 atoms in block 28
Block first atom: 2335
Blocpdb> 79 atoms in block 29
Block first atom: 2425
Blocpdb> 104 atoms in block 30
Block first atom: 2504
Blocpdb> 82 atoms in block 31
Block first atom: 2608
Blocpdb> 80 atoms in block 32
Block first atom: 2690
Blocpdb> 86 atoms in block 33
Block first atom: 2770
Blocpdb> 100 atoms in block 34
Block first atom: 2856
Blocpdb> 91 atoms in block 35
Block first atom: 2956
Blocpdb> 88 atoms in block 36
Block first atom: 3047
Blocpdb> 99 atoms in block 37
Block first atom: 3135
Blocpdb> 79 atoms in block 38
Block first atom: 3234
Blocpdb> 82 atoms in block 39
Block first atom: 3313
Blocpdb> 85 atoms in block 40
Block first atom: 3395
Blocpdb> 81 atoms in block 41
Block first atom: 3480
Blocpdb> 88 atoms in block 42
Block first atom: 3561
Blocpdb> 80 atoms in block 43
Block first atom: 3649
Blocpdb> 81 atoms in block 44
Block first atom: 3729
Blocpdb> 97 atoms in block 45
Block first atom: 3810
Blocpdb> 92 atoms in block 46
Block first atom: 3907
Blocpdb> 91 atoms in block 47
Block first atom: 3999
Blocpdb> 91 atoms in block 48
Block first atom: 4090
Blocpdb> 89 atoms in block 49
Block first atom: 4181
Blocpdb> 77 atoms in block 50
Block first atom: 4270
Blocpdb> 86 atoms in block 51
Block first atom: 4347
Blocpdb> 88 atoms in block 52
Block first atom: 4433
Blocpdb> 94 atoms in block 53
Block first atom: 4521
Blocpdb> 87 atoms in block 54
Block first atom: 4615
Blocpdb> 78 atoms in block 55
Block first atom: 4702
Blocpdb> 89 atoms in block 56
Block first atom: 4780
Blocpdb> 89 atoms in block 57
Block first atom: 4869
Blocpdb> 91 atoms in block 58
Block first atom: 4958
Blocpdb> 90 atoms in block 59
Block first atom: 5049
Blocpdb> 98 atoms in block 60
Block first atom: 5139
Blocpdb> 82 atoms in block 61
Block first atom: 5237
Blocpdb> 84 atoms in block 62
Block first atom: 5319
Blocpdb> 98 atoms in block 63
Block first atom: 5403
Blocpdb> 98 atoms in block 64
Block first atom: 5501
Blocpdb> 86 atoms in block 65
Block first atom: 5599
Blocpdb> 78 atoms in block 66
Block first atom: 5685
Blocpdb> 62 atoms in block 67
Block first atom: 5763
Blocpdb> 83 atoms in block 68
Block first atom: 5825
Blocpdb> 85 atoms in block 69
Block first atom: 5908
Blocpdb> 94 atoms in block 70
Block first atom: 5993
Blocpdb> 89 atoms in block 71
Block first atom: 6087
Blocpdb> 91 atoms in block 72
Block first atom: 6176
Blocpdb> 88 atoms in block 73
Block first atom: 6267
Blocpdb> 85 atoms in block 74
Block first atom: 6355
Blocpdb> 91 atoms in block 75
Block first atom: 6440
Blocpdb> 83 atoms in block 76
Block first atom: 6531
Blocpdb> 78 atoms in block 77
Block first atom: 6614
Blocpdb> 71 atoms in block 78
Block first atom: 6692
Blocpdb> 84 atoms in block 79
Block first atom: 6763
Blocpdb> 76 atoms in block 80
Block first atom: 6847
Blocpdb> 83 atoms in block 81
Block first atom: 6923
Blocpdb> 91 atoms in block 82
Block first atom: 7006
Blocpdb> 92 atoms in block 83
Block first atom: 7097
Blocpdb> 89 atoms in block 84
Block first atom: 7189
Blocpdb> 85 atoms in block 85
Block first atom: 7278
Blocpdb> 92 atoms in block 86
Block first atom: 7363
Blocpdb> 92 atoms in block 87
Block first atom: 7455
Blocpdb> 81 atoms in block 88
Block first atom: 7547
Blocpdb> 87 atoms in block 89
Block first atom: 7628
Blocpdb> 93 atoms in block 90
Block first atom: 7715
Blocpdb> 100 atoms in block 91
Block first atom: 7808
Blocpdb> 83 atoms in block 92
Block first atom: 7908
Blocpdb> 76 atoms in block 93
Block first atom: 7991
Blocpdb> 98 atoms in block 94
Block first atom: 8067
Blocpdb> 92 atoms in block 95
Block first atom: 8165
Blocpdb> 74 atoms in block 96
Block first atom: 8257
Blocpdb> 96 atoms in block 97
Block first atom: 8331
Blocpdb> 87 atoms in block 98
Block first atom: 8427
Blocpdb> 85 atoms in block 99
Block first atom: 8514
Blocpdb> 78 atoms in block 100
Block first atom: 8599
Blocpdb> 100 atoms in block 101
Block first atom: 8677
Blocpdb> 96 atoms in block 102
Block first atom: 8777
Blocpdb> 87 atoms in block 103
Block first atom: 8873
Blocpdb> 100 atoms in block 104
Block first atom: 8960
Blocpdb> 81 atoms in block 105
Block first atom: 9060
Blocpdb> 80 atoms in block 106
Block first atom: 9141
Blocpdb> 91 atoms in block 107
Block first atom: 9221
Blocpdb> 77 atoms in block 108
Block first atom: 9312
Blocpdb> 80 atoms in block 109
Block first atom: 9389
Blocpdb> 94 atoms in block 110
Block first atom: 9469
Blocpdb> 79 atoms in block 111
Block first atom: 9563
Blocpdb> 85 atoms in block 112
Block first atom: 9642
Blocpdb> 98 atoms in block 113
Block first atom: 9727
Blocpdb> 84 atoms in block 114
Block first atom: 9825
Blocpdb> 96 atoms in block 115
Block first atom: 9909
Blocpdb> 93 atoms in block 116
Block first atom: 10005
Blocpdb> 78 atoms in block 117
Block first atom: 10098
Blocpdb> 80 atoms in block 118
Block first atom: 10176
Blocpdb> 90 atoms in block 119
Block first atom: 10256
Blocpdb> 95 atoms in block 120
Block first atom: 10346
Blocpdb> 87 atoms in block 121
Block first atom: 10441
Blocpdb> 84 atoms in block 122
Block first atom: 10528
Blocpdb> 82 atoms in block 123
Block first atom: 10612
Blocpdb> 92 atoms in block 124
Block first atom: 10694
Blocpdb> 91 atoms in block 125
Block first atom: 10786
Blocpdb> 86 atoms in block 126
Block first atom: 10877
Blocpdb> 96 atoms in block 127
Block first atom: 10963
Blocpdb> 87 atoms in block 128
Block first atom: 11059
Blocpdb> 88 atoms in block 129
Block first atom: 11146
Blocpdb> 83 atoms in block 130
Block first atom: 11234
Blocpdb> 109 atoms in block 131
Block first atom: 11317
Blocpdb> 92 atoms in block 132
Block first atom: 11426
Blocpdb> 81 atoms in block 133
Block first atom: 11518
Blocpdb> 75 atoms in block 134
Block first atom: 11599
Blocpdb> 16 atoms in block 135
Block first atom: 11674
Blocpdb> 101 atoms in block 136
Block first atom: 11690
Blocpdb> 85 atoms in block 137
Block first atom: 11791
Blocpdb> 88 atoms in block 138
Block first atom: 11876
Blocpdb> 81 atoms in block 139
Block first atom: 11964
Blocpdb> 83 atoms in block 140
Block first atom: 12045
Blocpdb> 107 atoms in block 141
Block first atom: 12128
Blocpdb> 99 atoms in block 142
Block first atom: 12235
Blocpdb> 94 atoms in block 143
Block first atom: 12334
Blocpdb> 86 atoms in block 144
Block first atom: 12428
Blocpdb> 91 atoms in block 145
Block first atom: 12514
Blocpdb> 83 atoms in block 146
Block first atom: 12605
Blocpdb> 92 atoms in block 147
Block first atom: 12688
Blocpdb> 89 atoms in block 148
Block first atom: 12780
Blocpdb> 73 atoms in block 149
Block first atom: 12869
Blocpdb> 85 atoms in block 150
Block first atom: 12942
Blocpdb> 51 atoms in block 151
Block first atom: 13027
Blocpdb> 101 atoms in block 152
Block first atom: 13078
Blocpdb> 85 atoms in block 153
Block first atom: 13179
Blocpdb> 88 atoms in block 154
Block first atom: 13264
Blocpdb> 81 atoms in block 155
Block first atom: 13352
Blocpdb> 83 atoms in block 156
Block first atom: 13433
Blocpdb> 107 atoms in block 157
Block first atom: 13516
Blocpdb> 99 atoms in block 158
Block first atom: 13623
Blocpdb> 94 atoms in block 159
Block first atom: 13722
Blocpdb> 86 atoms in block 160
Block first atom: 13816
Blocpdb> 91 atoms in block 161
Block first atom: 13902
Blocpdb> 83 atoms in block 162
Block first atom: 13993
Blocpdb> 92 atoms in block 163
Block first atom: 14076
Blocpdb> 89 atoms in block 164
Block first atom: 14168
Blocpdb> 73 atoms in block 165
Block first atom: 14257
Blocpdb> 85 atoms in block 166
Block first atom: 14330
Blocpdb> 51 atoms in block 167
Block first atom: 14415
Blocpdb> 92 atoms in block 168
Block first atom: 14466
Blocpdb> 68 atoms in block 169
Block first atom: 14558
Blocpdb> 76 atoms in block 170
Block first atom: 14626
Blocpdb> 84 atoms in block 171
Block first atom: 14702
Blocpdb> 84 atoms in block 172
Block first atom: 14786
Blocpdb> 72 atoms in block 173
Block first atom: 14870
Blocpdb> 73 atoms in block 174
Block first atom: 14942
Blocpdb> 72 atoms in block 175
Block first atom: 15015
Blocpdb> 79 atoms in block 176
Block first atom: 15087
Blocpdb> 79 atoms in block 177
Block first atom: 15166
Blocpdb> 89 atoms in block 178
Block first atom: 15245
Blocpdb> 76 atoms in block 179
Block first atom: 15334
Blocpdb> 92 atoms in block 180
Block first atom: 15410
Blocpdb> 68 atoms in block 181
Block first atom: 15502
Blocpdb> 95 atoms in block 182
Block first atom: 15570
Blocpdb> 68 atoms in block 183
Block first atom: 15665
Blocpdb> 97 atoms in block 184
Block first atom: 15733
Blocpdb> 54 atoms in block 185
Block first atom: 15829
Blocpdb> 185 blocks.
Blocpdb> At most, 109 atoms in each of them.
Blocpdb> At least, 16 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> 7596803 matrix lines read.
Prepmat> Matrix order = 47649
Prepmat> Matrix trace = 16672300.0000
Prepmat> Last element read: 47649 47649 272.9875
Prepmat> 17206 lines saved.
Prepmat> 15752 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: 15883
RTB> Total mass = 15883.0000
RTB> Number of atoms found in matrix: 15883
RTB> Number of blocks = 185
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 254763.6142
RTB> 49533 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 = 1110
Diagstd> Nb of non-zero elements: 49533
Diagstd> Projected matrix trace = 254763.6142
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1110 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 254763.6142
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 0.1986125 0.2749174 0.4126202 0.4484440
0.7002988 1.0180580 1.0404304 1.6415094 1.8783610
2.1711761 2.3476460 2.6274556 2.8399451 3.2529528
3.3034256 3.8077148 4.0032228 4.6627078 4.7939998
5.4373830 6.1112671 6.7624709 6.9860557 7.4124548
7.8808005 8.3534052 8.6069945 8.9886505 9.4218532
10.1546168 10.3431534 10.6118841 11.1777664 11.7521659
11.7998748 12.6612259 12.8176655 13.5723323 14.7084713
15.3507779 15.8880902 16.1412343 16.5253660 16.9342242
17.5096993 17.7796547 18.7269071 19.2197278 19.5236869
19.6485622 19.9100838 21.1600636 21.8234186 22.3303151
22.7812274 23.1970043 23.9401646 24.4255631 25.2963245
25.9200784 26.3327874 26.6931815 27.4907405 28.1107116
28.9654532 29.6088644 30.3992734 30.6267817 31.1864923
32.1146646 32.8047770 33.0733194 34.4806385 35.1285728
35.6970895 36.1234302 36.6643788 36.8352954 37.3395505
38.0707403 38.5229358 38.8665119 39.4573750 40.2409062
40.4440653 41.1270030 41.4148058 42.2807450 44.0290827
44.4452645 44.7166561 44.8332519 45.3225129 45.4810737
46.2441478 46.6500363 46.7954628 47.5048290 47.8452738
48.1999355
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034323 0.0034326 0.0034331 0.0034342
0.0034343 48.3947866 56.9372339 69.7542228 72.7192529
90.8734405 109.5674478 110.7648093 139.1287785 148.8280581
160.0084085 166.3840078 176.0203871 182.9996467 195.8547743
197.3683658 211.8983064 217.2701979 234.4846300 237.7630078
253.2154737 268.4484587 282.3891362 287.0194338 295.6489293
304.8459624 313.8535557 318.5818602 325.5686124 333.3215916
346.0405947 349.2382177 353.7459939 363.0553109 372.2667415
373.0215997 386.3964779 388.7762690 400.0575967 416.4655179
425.4617031 432.8437276 436.2783387 441.4391260 446.8666389
454.3961309 457.8855537 469.9247383 476.0678971 479.8176260
481.3496585 484.5424427 499.5210154 507.2904332 513.1480774
518.3031397 523.0114921 531.3232814 536.6826712 546.1651592
552.8577929 557.2418131 561.0420981 569.3620280 575.7463584
584.4339611 590.8893407 598.7242963 600.9605477 606.4270224
615.3850986 621.9619622 624.5024874 637.6508307 643.6140751
648.8012599 652.6641709 657.5328367 659.0636491 663.5594260
670.0248980 673.9923520 676.9912625 682.1177880 688.8571279
690.5938105 696.4000792 698.8325015 706.1006248 720.5516199
723.9490919 726.1560163 727.1021025 731.0587352 732.3364236
738.4543800 741.6880354 742.8432022 748.4523557 751.1294717
753.9082725
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 15883
Rtb_to_modes> Number of blocs = 185
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: 9.9890E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9901E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9919E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9949E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1986
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2749
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4126
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4484
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.7003
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.018
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.040
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.642
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.878
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.171
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.348
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.627
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.840
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.253
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.303
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 3.808
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.003
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.663
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.794
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.437
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 6.111
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.762
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.986
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.412
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.881
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.353
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.607
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.989
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.422
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.15
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 11.18
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 11.75
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 12.66
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 14.71
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.35
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 15.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 16.14
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 16.53
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 16.93
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 17.51
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 17.78
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 19.22
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.52
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.65
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 19.91
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 21.16
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 21.82
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 22.33
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 22.78
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 23.20
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 23.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 24.43
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 25.92
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 28.11
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 29.61
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 30.40
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 30.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 31.19
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 32.11
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 32.80
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 33.07
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 34.48
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.13
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 35.70
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.12
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 36.66
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 36.84
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 37.34
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.52
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.87
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.46
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 40.24
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 40.44
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 41.13
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 41.41
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 42.28
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 44.45
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 44.72
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 44.83
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 45.32
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 45.48
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 46.24
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 46.65
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 46.80
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 47.50
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 47.85
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 48.20
Rtb_to_modes> 106 vectors, with 1110 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00002 0.99999 0.99996 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00002 0.99999 0.99999 0.99999
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00001 1.00000 0.99999 1.00002
1.00001 0.99999 1.00000 0.99999 0.99999
0.99998 1.00002 0.99999 1.00001 0.99999
1.00001 1.00000 0.99999 0.99999 1.00000
1.00001 0.99999 0.99999 1.00000 1.00000
0.99999 0.99999 1.00000 0.99998 1.00000
1.00000 1.00002 1.00002 1.00000 0.99998
1.00000 0.99999 0.99998 1.00001 1.00000
0.99999 1.00000 0.99999 1.00000 1.00001
1.00000 1.00001 1.00001 1.00000 1.00001
1.00000 1.00000 0.99999 1.00000 0.99999
0.99999 1.00001 1.00000 1.00000 1.00001
0.99999 0.99997 1.00000 1.00000 0.99998
1.00000 0.99999 1.00001 0.99999 1.00003
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 285894 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00002 0.99999 0.99996 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00002 0.99999 0.99999 0.99999
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00001 1.00000 0.99999 1.00002
1.00001 0.99999 1.00000 0.99999 0.99999
0.99998 1.00002 0.99999 1.00001 0.99999
1.00001 1.00000 0.99999 0.99999 1.00000
1.00001 0.99999 0.99999 1.00000 1.00000
0.99999 0.99999 1.00000 0.99998 1.00000
1.00000 1.00002 1.00002 1.00000 0.99998
1.00000 0.99999 0.99998 1.00001 1.00000
0.99999 1.00000 0.99999 1.00000 1.00001
1.00000 1.00001 1.00001 1.00000 1.00001
1.00000 1.00000 0.99999 1.00000 0.99999
0.99999 1.00001 1.00000 1.00000 1.00001
0.99999 0.99997 1.00000 1.00000 0.99998
1.00000 0.99999 1.00001 0.99999 1.00003
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4:-0.000 0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000-0.000 0.000 0.000
Vector 7:-0.000 0.000 0.000 0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000-0.000 0.000-0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000-0.000 0.000-0.000
Vector 10:-0.000 0.000 0.000 0.000 0.000 0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402080425331901406.eigenfacs
Openam> file on opening on unit 10:
2402080425331901406.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402080425331901406.atom
Openam> file on opening on unit 11:
2402080425331901406.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 = 1644
First residue number = 27
Last residue number = 158
Number of atoms found = 15883
Mean number per residue = 9.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9890E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9919E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9949E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-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: 0.1986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 6.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 12.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 15.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 19.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 21.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 21.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 22.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 22.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 23.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 23.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 24.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 25.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 28.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 29.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 30.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 30.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 31.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 32.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 32.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 33.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 34.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 35.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 36.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 36.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 37.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 40.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 40.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 41.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 41.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 42.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 44.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 44.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 44.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 45.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 45.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 46.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 46.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 46.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 47.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 47.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 48.20
Bfactors> 106 vectors, 47649 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 : 0.198600
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> = 0.024 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.024
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 2402080425331901406 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=0
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=100
2402080425331901406.eigenfacs
2402080425331901406.atom
making animated gifs
11 models are in 2402080425331901406.7.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 2402080425331901406.7.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 2402080425331901406.7.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 2402080425331901406 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=0
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=100
2402080425331901406.eigenfacs
2402080425331901406.atom
making animated gifs
11 models are in 2402080425331901406.8.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 2402080425331901406.8.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 2402080425331901406.8.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 2402080425331901406 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=0
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=100
2402080425331901406.eigenfacs
2402080425331901406.atom
making animated gifs
11 models are in 2402080425331901406.9.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 2402080425331901406.9.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 2402080425331901406.9.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 2402080425331901406 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=0
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=100
2402080425331901406.eigenfacs
2402080425331901406.atom
making animated gifs
11 models are in 2402080425331901406.10.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 2402080425331901406.10.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 2402080425331901406.10.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 2402080425331901406 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=-20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=0
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=20
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=40
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=60
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=80
2402080425331901406.eigenfacs
2402080425331901406.atom
calculating perturbed structure for DQ=100
2402080425331901406.eigenfacs
2402080425331901406.atom
making animated gifs
11 models are in 2402080425331901406.11.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 2402080425331901406.11.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 2402080425331901406.11.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
2402080425331901406.10.pdb
2402080425331901406.11.pdb
2402080425331901406.7.pdb
2402080425331901406.8.pdb
2402080425331901406.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m42.935s
user 1m42.641s
sys 0m0.292s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402080425331901406.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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