*** Xilanase_model1_complete ***
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 = 2404070207242731773.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 2404070207242731773.atom to be opened.
Openam> File opened: 2404070207242731773.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 = 584
First residue number = 1
Last residue number = 584
Number of atoms found = 9056
Mean number per residue = 15.5
Pdbmat> Coordinate statistics:
= 17.475961 +/- 15.158393 From: -26.701000 To: 56.269000
= -44.262300 +/- 18.589216 From: -81.656000 To: 8.141000
= 1.204510 +/- 18.954160 From: -41.963000 To: 37.167000
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 1.7396 % Filled.
Pdbmat> 6420333 non-zero elements.
Pdbmat> 707433 atom-atom interactions.
Pdbmat> Number per atom= 156.24 +/- 48.44
Maximum number = 248
Minimum number = 18
Pdbmat> Matrix trace = 1.414866E+07
Pdbmat> Larger element = 882.174
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
584 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404070207242731773.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404070207242731773.atom to be opened.
Openam> file on opening on unit 11:
2404070207242731773.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9056 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 584 residues.
Blocpdb> 60 atoms in block 1
Block first atom: 1
Blocpdb> 44 atoms in block 2
Block first atom: 61
Blocpdb> 50 atoms in block 3
Block first atom: 105
Blocpdb> 61 atoms in block 4
Block first atom: 155
Blocpdb> 54 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 270
Blocpdb> 48 atoms in block 7
Block first atom: 324
Blocpdb> 41 atoms in block 8
Block first atom: 372
Blocpdb> 48 atoms in block 9
Block first atom: 413
Blocpdb> 43 atoms in block 10
Block first atom: 461
Blocpdb> 44 atoms in block 11
Block first atom: 504
Blocpdb> 45 atoms in block 12
Block first atom: 548
Blocpdb> 47 atoms in block 13
Block first atom: 593
Blocpdb> 45 atoms in block 14
Block first atom: 640
Blocpdb> 45 atoms in block 15
Block first atom: 685
Blocpdb> 49 atoms in block 16
Block first atom: 730
Blocpdb> 35 atoms in block 17
Block first atom: 779
Blocpdb> 45 atoms in block 18
Block first atom: 814
Blocpdb> 42 atoms in block 19
Block first atom: 859
Blocpdb> 48 atoms in block 20
Block first atom: 901
Blocpdb> 43 atoms in block 21
Block first atom: 949
Blocpdb> 53 atoms in block 22
Block first atom: 992
Blocpdb> 45 atoms in block 23
Block first atom: 1045
Blocpdb> 29 atoms in block 24
Block first atom: 1090
Blocpdb> 58 atoms in block 25
Block first atom: 1119
Blocpdb> 57 atoms in block 26
Block first atom: 1177
Blocpdb> 28 atoms in block 27
Block first atom: 1234
Blocpdb> 45 atoms in block 28
Block first atom: 1262
Blocpdb> 45 atoms in block 29
Block first atom: 1307
Blocpdb> 55 atoms in block 30
Block first atom: 1352
Blocpdb> 42 atoms in block 31
Block first atom: 1407
Blocpdb> 40 atoms in block 32
Block first atom: 1449
Blocpdb> 44 atoms in block 33
Block first atom: 1489
Blocpdb> 54 atoms in block 34
Block first atom: 1533
Blocpdb> 47 atoms in block 35
Block first atom: 1587
Blocpdb> 55 atoms in block 36
Block first atom: 1634
Blocpdb> 55 atoms in block 37
Block first atom: 1689
Blocpdb> 45 atoms in block 38
Block first atom: 1744
Blocpdb> 59 atoms in block 39
Block first atom: 1789
Blocpdb> 33 atoms in block 40
Block first atom: 1848
Blocpdb> 50 atoms in block 41
Block first atom: 1881
Blocpdb> 48 atoms in block 42
Block first atom: 1931
Blocpdb> 61 atoms in block 43
Block first atom: 1979
Blocpdb> 47 atoms in block 44
Block first atom: 2040
Blocpdb> 50 atoms in block 45
Block first atom: 2087
Blocpdb> 38 atoms in block 46
Block first atom: 2137
Blocpdb> 42 atoms in block 47
Block first atom: 2175
Blocpdb> 36 atoms in block 48
Block first atom: 2217
Blocpdb> 49 atoms in block 49
Block first atom: 2253
Blocpdb> 47 atoms in block 50
Block first atom: 2302
Blocpdb> 36 atoms in block 51
Block first atom: 2349
Blocpdb> 49 atoms in block 52
Block first atom: 2385
Blocpdb> 33 atoms in block 53
Block first atom: 2434
Blocpdb> 31 atoms in block 54
Block first atom: 2467
Blocpdb> 55 atoms in block 55
Block first atom: 2498
Blocpdb> 49 atoms in block 56
Block first atom: 2553
Blocpdb> 40 atoms in block 57
Block first atom: 2602
Blocpdb> 42 atoms in block 58
Block first atom: 2642
Blocpdb> 62 atoms in block 59
Block first atom: 2684
Blocpdb> 42 atoms in block 60
Block first atom: 2746
Blocpdb> 47 atoms in block 61
Block first atom: 2788
Blocpdb> 48 atoms in block 62
Block first atom: 2835
Blocpdb> 49 atoms in block 63
Block first atom: 2883
Blocpdb> 57 atoms in block 64
Block first atom: 2932
Blocpdb> 46 atoms in block 65
Block first atom: 2989
Blocpdb> 47 atoms in block 66
Block first atom: 3035
Blocpdb> 63 atoms in block 67
Block first atom: 3082
Blocpdb> 68 atoms in block 68
Block first atom: 3145
Blocpdb> 54 atoms in block 69
Block first atom: 3213
Blocpdb> 46 atoms in block 70
Block first atom: 3267
Blocpdb> 50 atoms in block 71
Block first atom: 3313
Blocpdb> 40 atoms in block 72
Block first atom: 3363
Blocpdb> 47 atoms in block 73
Block first atom: 3403
Blocpdb> 42 atoms in block 74
Block first atom: 3450
Blocpdb> 46 atoms in block 75
Block first atom: 3492
Blocpdb> 47 atoms in block 76
Block first atom: 3538
Blocpdb> 48 atoms in block 77
Block first atom: 3585
Blocpdb> 54 atoms in block 78
Block first atom: 3633
Blocpdb> 28 atoms in block 79
Block first atom: 3687
Blocpdb> 57 atoms in block 80
Block first atom: 3715
Blocpdb> 52 atoms in block 81
Block first atom: 3772
Blocpdb> 42 atoms in block 82
Block first atom: 3824
Blocpdb> 48 atoms in block 83
Block first atom: 3866
Blocpdb> 55 atoms in block 84
Block first atom: 3914
Blocpdb> 46 atoms in block 85
Block first atom: 3969
Blocpdb> 50 atoms in block 86
Block first atom: 4015
Blocpdb> 48 atoms in block 87
Block first atom: 4065
Blocpdb> 44 atoms in block 88
Block first atom: 4113
Blocpdb> 63 atoms in block 89
Block first atom: 4157
Blocpdb> 35 atoms in block 90
Block first atom: 4220
Blocpdb> 40 atoms in block 91
Block first atom: 4255
Blocpdb> 41 atoms in block 92
Block first atom: 4295
Blocpdb> 48 atoms in block 93
Block first atom: 4336
Blocpdb> 35 atoms in block 94
Block first atom: 4384
Blocpdb> 39 atoms in block 95
Block first atom: 4419
Blocpdb> 53 atoms in block 96
Block first atom: 4458
Blocpdb> 54 atoms in block 97
Block first atom: 4511
Blocpdb> 40 atoms in block 98
Block first atom: 4565
Blocpdb> 53 atoms in block 99
Block first atom: 4605
Blocpdb> 38 atoms in block 100
Block first atom: 4658
Blocpdb> 60 atoms in block 101
Block first atom: 4696
Blocpdb> 38 atoms in block 102
Block first atom: 4756
Blocpdb> 60 atoms in block 103
Block first atom: 4794
Blocpdb> 42 atoms in block 104
Block first atom: 4854
Blocpdb> 38 atoms in block 105
Block first atom: 4896
Blocpdb> 44 atoms in block 106
Block first atom: 4934
Blocpdb> 45 atoms in block 107
Block first atom: 4978
Blocpdb> 34 atoms in block 108
Block first atom: 5023
Blocpdb> 46 atoms in block 109
Block first atom: 5057
Blocpdb> 57 atoms in block 110
Block first atom: 5103
Blocpdb> 44 atoms in block 111
Block first atom: 5160
Blocpdb> 59 atoms in block 112
Block first atom: 5204
Blocpdb> 46 atoms in block 113
Block first atom: 5263
Blocpdb> 42 atoms in block 114
Block first atom: 5309
Blocpdb> 52 atoms in block 115
Block first atom: 5351
Blocpdb> 45 atoms in block 116
Block first atom: 5403
Blocpdb> 50 atoms in block 117
Block first atom: 5448
Blocpdb> 51 atoms in block 118
Block first atom: 5498
Blocpdb> 46 atoms in block 119
Block first atom: 5549
Blocpdb> 48 atoms in block 120
Block first atom: 5595
Blocpdb> 34 atoms in block 121
Block first atom: 5643
Blocpdb> 37 atoms in block 122
Block first atom: 5677
Blocpdb> 48 atoms in block 123
Block first atom: 5714
Blocpdb> 42 atoms in block 124
Block first atom: 5762
Blocpdb> 48 atoms in block 125
Block first atom: 5804
Blocpdb> 39 atoms in block 126
Block first atom: 5852
Blocpdb> 53 atoms in block 127
Block first atom: 5891
Blocpdb> 46 atoms in block 128
Block first atom: 5944
Blocpdb> 49 atoms in block 129
Block first atom: 5990
Blocpdb> 43 atoms in block 130
Block first atom: 6039
Blocpdb> 47 atoms in block 131
Block first atom: 6082
Blocpdb> 34 atoms in block 132
Block first atom: 6129
Blocpdb> 38 atoms in block 133
Block first atom: 6163
Blocpdb> 62 atoms in block 134
Block first atom: 6201
Blocpdb> 56 atoms in block 135
Block first atom: 6263
Blocpdb> 54 atoms in block 136
Block first atom: 6319
Blocpdb> 47 atoms in block 137
Block first atom: 6373
Blocpdb> 35 atoms in block 138
Block first atom: 6420
Blocpdb> 38 atoms in block 139
Block first atom: 6455
Blocpdb> 33 atoms in block 140
Block first atom: 6493
Blocpdb> 45 atoms in block 141
Block first atom: 6526
Blocpdb> 48 atoms in block 142
Block first atom: 6571
Blocpdb> 36 atoms in block 143
Block first atom: 6619
Blocpdb> 47 atoms in block 144
Block first atom: 6655
Blocpdb> 52 atoms in block 145
Block first atom: 6702
Blocpdb> 45 atoms in block 146
Block first atom: 6754
Blocpdb> 45 atoms in block 147
Block first atom: 6799
Blocpdb> 39 atoms in block 148
Block first atom: 6844
Blocpdb> 40 atoms in block 149
Block first atom: 6883
Blocpdb> 54 atoms in block 150
Block first atom: 6923
Blocpdb> 48 atoms in block 151
Block first atom: 6977
Blocpdb> 44 atoms in block 152
Block first atom: 7025
Blocpdb> 35 atoms in block 153
Block first atom: 7069
Blocpdb> 38 atoms in block 154
Block first atom: 7104
Blocpdb> 38 atoms in block 155
Block first atom: 7142
Blocpdb> 51 atoms in block 156
Block first atom: 7180
Blocpdb> 62 atoms in block 157
Block first atom: 7231
Blocpdb> 42 atoms in block 158
Block first atom: 7293
Blocpdb> 42 atoms in block 159
Block first atom: 7335
Blocpdb> 62 atoms in block 160
Block first atom: 7377
Blocpdb> 42 atoms in block 161
Block first atom: 7439
Blocpdb> 54 atoms in block 162
Block first atom: 7481
Blocpdb> 45 atoms in block 163
Block first atom: 7535
Blocpdb> 35 atoms in block 164
Block first atom: 7580
Blocpdb> 56 atoms in block 165
Block first atom: 7615
Blocpdb> 47 atoms in block 166
Block first atom: 7671
Blocpdb> 40 atoms in block 167
Block first atom: 7718
Blocpdb> 51 atoms in block 168
Block first atom: 7758
Blocpdb> 47 atoms in block 169
Block first atom: 7809
Blocpdb> 33 atoms in block 170
Block first atom: 7856
Blocpdb> 44 atoms in block 171
Block first atom: 7889
Blocpdb> 60 atoms in block 172
Block first atom: 7933
Blocpdb> 63 atoms in block 173
Block first atom: 7993
Blocpdb> 21 atoms in block 174
Block first atom: 8056
Blocpdb> 40 atoms in block 175
Block first atom: 8077
Blocpdb> 51 atoms in block 176
Block first atom: 8117
Blocpdb> 43 atoms in block 177
Block first atom: 8168
Blocpdb> 41 atoms in block 178
Block first atom: 8211
Blocpdb> 48 atoms in block 179
Block first atom: 8252
Blocpdb> 50 atoms in block 180
Block first atom: 8300
Blocpdb> 36 atoms in block 181
Block first atom: 8350
Blocpdb> 55 atoms in block 182
Block first atom: 8386
Blocpdb> 55 atoms in block 183
Block first atom: 8441
Blocpdb> 47 atoms in block 184
Block first atom: 8496
Blocpdb> 47 atoms in block 185
Block first atom: 8543
Blocpdb> 44 atoms in block 186
Block first atom: 8590
Blocpdb> 33 atoms in block 187
Block first atom: 8634
Blocpdb> 48 atoms in block 188
Block first atom: 8667
Blocpdb> 61 atoms in block 189
Block first atom: 8715
Blocpdb> 39 atoms in block 190
Block first atom: 8776
Blocpdb> 39 atoms in block 191
Block first atom: 8815
Blocpdb> 50 atoms in block 192
Block first atom: 8854
Blocpdb> 57 atoms in block 193
Block first atom: 8904
Blocpdb> 57 atoms in block 194
Block first atom: 8961
Blocpdb> 39 atoms in block 195
Block first atom: 9017
Blocpdb> 195 blocks.
Blocpdb> At most, 68 atoms in each of them.
Blocpdb> At least, 21 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> 6420528 matrix lines read.
Prepmat> Matrix order = 27168
Prepmat> Matrix trace = 14148660.0000
Prepmat> Last element read: 27168 27168 449.9616
Prepmat> 19111 lines saved.
Prepmat> 16945 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: 9056
RTB> Total mass = 9056.0000
RTB> Number of atoms found in matrix: 9056
RTB> Number of blocks = 195
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 480094.3804
RTB> 75015 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 = 1170
Diagstd> Nb of non-zero elements: 75015
Diagstd> Projected matrix trace = 480094.3804
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1170 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 480094.3804
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 0.0783498 0.1202040 0.1652095 0.8718936
1.2161980 1.3475696 1.5535967 2.1538927 2.7862769
2.9584767 3.5438805 5.5402664 6.5859584 7.8047313
8.9531728 10.1093148 11.3700429 12.2588783 12.6246629
14.7506902 15.0151130 18.1904457 18.7137733 20.3749670
21.6076148 23.0826757 24.3036608 25.8007144 26.3377289
28.3797959 28.6349335 31.5059542 32.5302410 34.6628380
35.7425058 37.4888301 38.8855241 39.4641574 40.0256780
41.0045202 41.8463898 44.3288487 46.8122224 47.5795851
48.3211646 49.0689331 50.0081515 50.7033266 51.9885153
52.7456134 54.8204716 55.5268606 56.2508597 57.5978074
58.8698988 59.3288412 60.7262688 60.9850459 62.2301313
64.4254680 65.4375562 65.5892924 66.5913606 66.8824035
68.3585487 69.6908733 70.5064744 71.4621952 73.5748268
74.6177225 75.0105443 75.7020440 76.6294147 77.0990060
78.1773247 78.4033172 81.0658587 81.5238011 82.8896254
83.6557763 83.9906332 84.3301045 85.2172318 85.5538520
85.8898123 86.6296827 88.2052153 88.6464049 89.2456615
90.2494940 91.8987725 92.9425797 93.7644670 94.2141987
96.7397122 97.0960064 97.6555562 98.5361972 99.7816237
100.9436606
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034301 0.0034308 0.0034336 0.0034358 0.0034362
0.0034377 30.3958428 37.6491160 44.1380132 101.3974464
119.7560404 126.0581359 135.3519229 159.3702705 181.2622717
186.7795624 204.4253802 255.5998558 278.6793398 303.3711355
324.9254752 345.2678507 366.1645799 380.2074716 385.8381583
417.0627973 420.7843530 463.1449685 469.7599220 490.1666252
504.7759969 521.7210452 535.3417670 551.5833471 557.2940953
578.4954056 581.0899567 609.5251060 619.3539623 639.3333202
649.2138532 664.8845240 677.1568225 682.1764110 687.0124842
695.3623104 702.4643330 723.0003482 742.9762138 749.0410266
754.8557659 760.6740272 767.9194738 773.2385672 782.9769694
788.6575292 804.0196518 809.1831677 814.4414385 824.1348054
833.1859251 836.4273272 846.2205721 848.0216850 856.6346536
871.6137470 878.4333516 879.4512148 886.1438434 888.0782136
897.8250060 906.5321972 911.8213976 917.9805019 931.4507666
938.0290211 940.4948864 944.8200118 950.5895475 953.4977437
960.1424748 961.5292476 977.7194932 980.4771808 988.6563694
993.2149480 995.2007804 997.2099416 1002.4413935 1004.4193352
1006.3895231 1010.7148396 1019.8643531 1022.4117782 1025.8617488
1031.6150472 1040.9985760 1046.8938331 1051.5124638 1054.0311836
1068.0649804 1070.0300250 1073.1088074 1077.9365033 1084.7272827
1091.0252585
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9056
Rtb_to_modes> Number of blocs = 195
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: 9.9774E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9815E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9980E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0022E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.8350E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1202
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1652
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.8719
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.216
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.348
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.554
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.154
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.786
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.958
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.544
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.540
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.586
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.805
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.953
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.26
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.62
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.19
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.37
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.61
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 24.30
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 25.80
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 26.34
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.38
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 28.63
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.51
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.53
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 34.66
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 35.74
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 37.49
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 38.89
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 39.46
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 40.03
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 41.00
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 41.85
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 44.33
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 46.81
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 47.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.32
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.07
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 50.01
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 50.70
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 51.99
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 52.75
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 54.82
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 55.53
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 56.25
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.60
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 58.87
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 59.33
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 60.73
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 60.99
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 62.23
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.43
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 65.44
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 65.59
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 66.59
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.88
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 68.36
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 69.69
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 70.51
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 71.46
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 73.57
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 74.62
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 75.01
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 75.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 76.63
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 77.10
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 78.18
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 78.40
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 81.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 81.52
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 82.89
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 83.66
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 83.99
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 84.33
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 85.22
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 85.55
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 85.89
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 86.63
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 88.21
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 88.65
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 89.25
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 90.25
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 91.90
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 92.94
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 93.76
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 94.21
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 96.74
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 97.10
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 97.66
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 98.54
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 99.78
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 100.9
Rtb_to_modes> 106 vectors, with 1170 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99999
1.00000 0.99999 0.99999 1.00000 0.99999
1.00000 1.00000 0.99998 0.99998 0.99998
1.00002 1.00001 0.99999 1.00002 1.00000
0.99999 1.00004 1.00003 0.99998 1.00000
1.00000 0.99999 0.99999 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00000 1.00001
1.00001 1.00001 1.00000 0.99998 1.00002
1.00000 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 1.00003 1.00001
0.99998 1.00000 0.99998 0.99998 0.99999
1.00001 1.00000 0.99999 0.99998 0.99998
0.99998 1.00000 1.00000 0.99999 0.99999
1.00000 1.00000 1.00001 1.00000 1.00000
0.99998 0.99998 1.00003 1.00001 0.99999
0.99999 0.99999 1.00001 1.00000 1.00001
1.00001 1.00000 1.00001 0.99997 1.00004
1.00003 1.00000 0.99999 1.00003 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 163008 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99999
1.00000 0.99999 0.99999 1.00000 0.99999
1.00000 1.00000 0.99998 0.99998 0.99998
1.00002 1.00001 0.99999 1.00002 1.00000
0.99999 1.00004 1.00003 0.99998 1.00000
1.00000 0.99999 0.99999 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00000 1.00001
1.00001 1.00001 1.00000 0.99998 1.00002
1.00000 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 1.00003 1.00001
0.99998 1.00000 0.99998 0.99998 0.99999
1.00001 1.00000 0.99999 0.99998 0.99998
0.99998 1.00000 1.00000 0.99999 0.99999
1.00000 1.00000 1.00001 1.00000 1.00000
0.99998 0.99998 1.00003 1.00001 0.99999
0.99999 0.99999 1.00001 1.00000 1.00001
1.00001 1.00000 1.00001 0.99997 1.00004
1.00003 1.00000 0.99999 1.00003 1.00000
0.99998
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> 2404070207242731773.eigenfacs
Openam> file on opening on unit 10:
2404070207242731773.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404070207242731773.atom
Openam> file on opening on unit 11:
2404070207242731773.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 = 584
First residue number = 1
Last residue number = 584
Number of atoms found = 9056
Mean number per residue = 15.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9774E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9815E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8350E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 24.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 25.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 26.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 28.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 34.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 35.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 37.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 38.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 39.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 40.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 41.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 41.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 44.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 46.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 47.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 50.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 50.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 51.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 52.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 54.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 55.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 56.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 58.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 59.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 60.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 60.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 62.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 65.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 65.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 66.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 68.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 69.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 70.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 71.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 73.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 74.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 75.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 75.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 76.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 77.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 78.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 78.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 81.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 81.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 82.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 83.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 83.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 84.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 85.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 85.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 85.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 86.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 88.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 88.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 89.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 90.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 91.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 92.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 93.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 94.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 96.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 97.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 97.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 98.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 99.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Bfactors> 106 vectors, 27168 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 : 0.078350
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.743 for 584 C-alpha atoms.
Bfactors> = 0.055 +/- 0.06
Bfactors> = 4.430 +/- 4.85
Bfactors> Shiftng-fct= 4.375
Bfactors> Scaling-fct= 75.404
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404070207242731773 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=0
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=100
2404070207242731773.eigenfacs
2404070207242731773.atom
making animated gifs
11 models are in 2404070207242731773.7.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 2404070207242731773.7.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 2404070207242731773.7.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 2404070207242731773 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=0
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=100
2404070207242731773.eigenfacs
2404070207242731773.atom
making animated gifs
11 models are in 2404070207242731773.8.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 2404070207242731773.8.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 2404070207242731773.8.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 2404070207242731773 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=0
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=100
2404070207242731773.eigenfacs
2404070207242731773.atom
making animated gifs
11 models are in 2404070207242731773.9.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 2404070207242731773.9.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 2404070207242731773.9.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 2404070207242731773 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=0
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=100
2404070207242731773.eigenfacs
2404070207242731773.atom
making animated gifs
11 models are in 2404070207242731773.10.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 2404070207242731773.10.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 2404070207242731773.10.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 2404070207242731773 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=-20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=0
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=20
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=40
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=60
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=80
2404070207242731773.eigenfacs
2404070207242731773.atom
calculating perturbed structure for DQ=100
2404070207242731773.eigenfacs
2404070207242731773.atom
making animated gifs
11 models are in 2404070207242731773.11.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 2404070207242731773.11.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 2404070207242731773.11.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
2404070207242731773.10.pdb
2404070207242731773.11.pdb
2404070207242731773.7.pdb
2404070207242731773.8.pdb
2404070207242731773.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m50.472s
user 0m50.237s
sys 0m0.212s
../../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: 2404070207242731773.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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