*** ***
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 = 2402071004331823655.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 2402071004331823655.atom to be opened.
Openam> File opened: 2402071004331823655.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 = 881
First residue number = 1
Last residue number = 228
Number of atoms found = 8320
Mean number per residue = 9.4
Pdbmat> Coordinate statistics:
= 0.442307 +/- 50.028186 From: -97.019000 To: 81.152000
= 0.023794 +/- 14.458193 From: -48.252000 To: 33.542000
= 0.002538 +/- 10.458811 From: -28.161000 To: 30.524000
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 1.1141 % Filled.
Pdbmat> 3470701 non-zero elements.
Pdbmat> 380144 atom-atom interactions.
Pdbmat> Number per atom= 91.38 +/- 26.28
Maximum number = 156
Minimum number = 13
Pdbmat> Matrix trace = 7.602880E+06
Pdbmat> Larger element = 593.991
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
881 non-zero elements, NRBL set to 5
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2402071004331823655.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2402071004331823655.atom to be opened.
Openam> file on opening on unit 11:
2402071004331823655.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8320 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 881 residues.
Blocpdb> 55 atoms in block 1
Block first atom: 1
Blocpdb> 41 atoms in block 2
Block first atom: 56
Blocpdb> 50 atoms in block 3
Block first atom: 97
Blocpdb> 47 atoms in block 4
Block first atom: 147
Blocpdb> 52 atoms in block 5
Block first atom: 194
Blocpdb> 55 atoms in block 6
Block first atom: 246
Blocpdb> 51 atoms in block 7
Block first atom: 301
Blocpdb> 41 atoms in block 8
Block first atom: 352
Blocpdb> 51 atoms in block 9
Block first atom: 393
Blocpdb> 62 atoms in block 10
Block first atom: 444
Blocpdb> 47 atoms in block 11
Block first atom: 506
Blocpdb> 53 atoms in block 12
Block first atom: 553
Blocpdb> 41 atoms in block 13
Block first atom: 606
Blocpdb> 44 atoms in block 14
Block first atom: 647
Blocpdb> 53 atoms in block 15
Block first atom: 691
Blocpdb> 46 atoms in block 16
Block first atom: 744
Blocpdb> 52 atoms in block 17
Block first atom: 790
Blocpdb> 58 atoms in block 18
Block first atom: 842
Blocpdb> 48 atoms in block 19
Block first atom: 900
Blocpdb> 42 atoms in block 20
Block first atom: 948
Blocpdb> 53 atoms in block 21
Block first atom: 990
Blocpdb> 46 atoms in block 22
Block first atom: 1043
Blocpdb> 53 atoms in block 23
Block first atom: 1089
Blocpdb> 49 atoms in block 24
Block first atom: 1142
Blocpdb> 48 atoms in block 25
Block first atom: 1191
Blocpdb> 49 atoms in block 26
Block first atom: 1239
Blocpdb> 41 atoms in block 27
Block first atom: 1288
Blocpdb> 55 atoms in block 28
Block first atom: 1329
Blocpdb> 51 atoms in block 29
Block first atom: 1384
Blocpdb> 46 atoms in block 30
Block first atom: 1435
Blocpdb> 46 atoms in block 31
Block first atom: 1481
Blocpdb> 56 atoms in block 32
Block first atom: 1527
Blocpdb> 45 atoms in block 33
Block first atom: 1583
Blocpdb> 38 atoms in block 34
Block first atom: 1628
Blocpdb> 38 atoms in block 35
Block first atom: 1666
Blocpdb> 42 atoms in block 36
Block first atom: 1704
Blocpdb> 53 atoms in block 37
Block first atom: 1746
Blocpdb> 49 atoms in block 38
Block first atom: 1799
Blocpdb> 44 atoms in block 39
Block first atom: 1848
Blocpdb> 54 atoms in block 40
Block first atom: 1892
Blocpdb> 41 atoms in block 41
Block first atom: 1946
Blocpdb> 46 atoms in block 42
Block first atom: 1987
Blocpdb> 36 atoms in block 43
Block first atom: 2033
Blocpdb> 45 atoms in block 44
Block first atom: 2069
Blocpdb> 43 atoms in block 45
Block first atom: 2114
Blocpdb> 57 atoms in block 46
Block first atom: 2157
Blocpdb> 53 atoms in block 47
Block first atom: 2214
Blocpdb> 45 atoms in block 48
Block first atom: 2267
Blocpdb> 41 atoms in block 49
Block first atom: 2312
Blocpdb> 50 atoms in block 50
Block first atom: 2353
Blocpdb> 52 atoms in block 51
Block first atom: 2403
Blocpdb> 46 atoms in block 52
Block first atom: 2455
Blocpdb> 45 atoms in block 53
Block first atom: 2501
Blocpdb> 50 atoms in block 54
Block first atom: 2546
Blocpdb> 56 atoms in block 55
Block first atom: 2596
Blocpdb> 46 atoms in block 56
Block first atom: 2652
Blocpdb> 45 atoms in block 57
Block first atom: 2698
Blocpdb> 33 atoms in block 58
Block first atom: 2743
Blocpdb> 51 atoms in block 59
Block first atom: 2776
Blocpdb> 49 atoms in block 60
Block first atom: 2827
Blocpdb> 53 atoms in block 61
Block first atom: 2876
Blocpdb> 46 atoms in block 62
Block first atom: 2929
Blocpdb> 44 atoms in block 63
Block first atom: 2975
Blocpdb> 38 atoms in block 64
Block first atom: 3019
Blocpdb> 51 atoms in block 65
Block first atom: 3057
Blocpdb> 43 atoms in block 66
Block first atom: 3108
Blocpdb> 57 atoms in block 67
Block first atom: 3151
Blocpdb> 48 atoms in block 68
Block first atom: 3208
Blocpdb> 40 atoms in block 69
Block first atom: 3256
Blocpdb> 45 atoms in block 70
Block first atom: 3296
Blocpdb> 49 atoms in block 71
Block first atom: 3341
Blocpdb> 50 atoms in block 72
Block first atom: 3390
Blocpdb> 39 atoms in block 73
Block first atom: 3440
Blocpdb> 49 atoms in block 74
Block first atom: 3479
Blocpdb> 52 atoms in block 75
Block first atom: 3528
Blocpdb> 45 atoms in block 76
Block first atom: 3580
Blocpdb> 45 atoms in block 77
Block first atom: 3625
Blocpdb> 61 atoms in block 78
Block first atom: 3670
Blocpdb> 45 atoms in block 79
Block first atom: 3731
Blocpdb> 52 atoms in block 80
Block first atom: 3776
Blocpdb> 57 atoms in block 81
Block first atom: 3828
Blocpdb> 51 atoms in block 82
Block first atom: 3885
Blocpdb> 47 atoms in block 83
Block first atom: 3936
Blocpdb> 44 atoms in block 84
Block first atom: 3983
Blocpdb> 40 atoms in block 85
Block first atom: 4027
Blocpdb> 56 atoms in block 86
Block first atom: 4067
Blocpdb> 41 atoms in block 87
Block first atom: 4123
Blocpdb> 43 atoms in block 88
Block first atom: 4164
Blocpdb> 49 atoms in block 89
Block first atom: 4207
Blocpdb> 47 atoms in block 90
Block first atom: 4256
Blocpdb> 62 atoms in block 91
Block first atom: 4303
Blocpdb> 43 atoms in block 92
Block first atom: 4365
Blocpdb> 52 atoms in block 93
Block first atom: 4408
Blocpdb> 54 atoms in block 94
Block first atom: 4460
Blocpdb> 41 atoms in block 95
Block first atom: 4514
Blocpdb> 45 atoms in block 96
Block first atom: 4555
Blocpdb> 42 atoms in block 97
Block first atom: 4600
Blocpdb> 37 atoms in block 98
Block first atom: 4642
Blocpdb> 45 atoms in block 99
Block first atom: 4679
Blocpdb> 48 atoms in block 100
Block first atom: 4724
Blocpdb> 51 atoms in block 101
Block first atom: 4772
Blocpdb> 57 atoms in block 102
Block first atom: 4823
Blocpdb> 44 atoms in block 103
Block first atom: 4880
Blocpdb> 44 atoms in block 104
Block first atom: 4924
Blocpdb> 56 atoms in block 105
Block first atom: 4968
Blocpdb> 47 atoms in block 106
Block first atom: 5024
Blocpdb> 47 atoms in block 107
Block first atom: 5071
Blocpdb> 40 atoms in block 108
Block first atom: 5118
Blocpdb> 47 atoms in block 109
Block first atom: 5158
Blocpdb> 47 atoms in block 110
Block first atom: 5205
Blocpdb> 39 atoms in block 111
Block first atom: 5252
Blocpdb> 46 atoms in block 112
Block first atom: 5291
Blocpdb> 44 atoms in block 113
Block first atom: 5337
Blocpdb> 49 atoms in block 114
Block first atom: 5381
Blocpdb> 33 atoms in block 115
Block first atom: 5430
Blocpdb> 46 atoms in block 116
Block first atom: 5463
Blocpdb> 55 atoms in block 117
Block first atom: 5509
Blocpdb> 40 atoms in block 118
Block first atom: 5564
Blocpdb> 48 atoms in block 119
Block first atom: 5604
Blocpdb> 44 atoms in block 120
Block first atom: 5652
Blocpdb> 44 atoms in block 121
Block first atom: 5696
Blocpdb> 36 atoms in block 122
Block first atom: 5740
Blocpdb> 39 atoms in block 123
Block first atom: 5776
Blocpdb> 41 atoms in block 124
Block first atom: 5815
Blocpdb> 37 atoms in block 125
Block first atom: 5856
Blocpdb> 37 atoms in block 126
Block first atom: 5893
Blocpdb> 44 atoms in block 127
Block first atom: 5930
Blocpdb> 37 atoms in block 128
Block first atom: 5974
Blocpdb> 52 atoms in block 129
Block first atom: 6011
Blocpdb> 63 atoms in block 130
Block first atom: 6063
Blocpdb> 47 atoms in block 131
Block first atom: 6126
Blocpdb> 42 atoms in block 132
Block first atom: 6173
Blocpdb> 44 atoms in block 133
Block first atom: 6215
Blocpdb> 57 atoms in block 134
Block first atom: 6259
Blocpdb> 49 atoms in block 135
Block first atom: 6316
Blocpdb> 48 atoms in block 136
Block first atom: 6365
Blocpdb> 38 atoms in block 137
Block first atom: 6413
Blocpdb> 48 atoms in block 138
Block first atom: 6451
Blocpdb> 58 atoms in block 139
Block first atom: 6499
Blocpdb> 51 atoms in block 140
Block first atom: 6557
Blocpdb> 52 atoms in block 141
Block first atom: 6608
Blocpdb> 49 atoms in block 142
Block first atom: 6660
Blocpdb> 48 atoms in block 143
Block first atom: 6709
Blocpdb> 46 atoms in block 144
Block first atom: 6757
Blocpdb> 35 atoms in block 145
Block first atom: 6803
Blocpdb> 43 atoms in block 146
Block first atom: 6838
Blocpdb> 35 atoms in block 147
Block first atom: 6881
Blocpdb> 44 atoms in block 148
Block first atom: 6916
Blocpdb> 43 atoms in block 149
Block first atom: 6960
Blocpdb> 50 atoms in block 150
Block first atom: 7003
Blocpdb> 47 atoms in block 151
Block first atom: 7053
Blocpdb> 40 atoms in block 152
Block first atom: 7100
Blocpdb> 42 atoms in block 153
Block first atom: 7140
Blocpdb> 56 atoms in block 154
Block first atom: 7182
Blocpdb> 50 atoms in block 155
Block first atom: 7238
Blocpdb> 56 atoms in block 156
Block first atom: 7288
Blocpdb> 56 atoms in block 157
Block first atom: 7344
Blocpdb> 57 atoms in block 158
Block first atom: 7400
Blocpdb> 55 atoms in block 159
Block first atom: 7457
Blocpdb> 47 atoms in block 160
Block first atom: 7512
Blocpdb> 50 atoms in block 161
Block first atom: 7559
Blocpdb> 39 atoms in block 162
Block first atom: 7609
Blocpdb> 34 atoms in block 163
Block first atom: 7648
Blocpdb> 50 atoms in block 164
Block first atom: 7682
Blocpdb> 49 atoms in block 165
Block first atom: 7732
Blocpdb> 45 atoms in block 166
Block first atom: 7781
Blocpdb> 50 atoms in block 167
Block first atom: 7826
Blocpdb> 38 atoms in block 168
Block first atom: 7876
Blocpdb> 52 atoms in block 169
Block first atom: 7914
Blocpdb> 57 atoms in block 170
Block first atom: 7966
Blocpdb> 33 atoms in block 171
Block first atom: 8023
Blocpdb> 37 atoms in block 172
Block first atom: 8056
Blocpdb> 43 atoms in block 173
Block first atom: 8093
Blocpdb> 47 atoms in block 174
Block first atom: 8136
Blocpdb> 40 atoms in block 175
Block first atom: 8183
Blocpdb> 71 atoms in block 176
Block first atom: 8223
Blocpdb> 27 atoms in block 177
Block first atom: 8293
Blocpdb> 177 blocks.
Blocpdb> At most, 71 atoms in each of them.
Blocpdb> At least, 27 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> 3470878 matrix lines read.
Prepmat> Matrix order = 24960
Prepmat> Matrix trace = 7602880.0000
Prepmat> Last element read: 24960 24960 113.9998
Prepmat> 15754 lines saved.
Prepmat> 14443 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: 8320
RTB> Total mass = 8320.0000
RTB> Number of atoms found in matrix: 8320
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 216647.7026
RTB> 44505 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 = 1062
Diagstd> Nb of non-zero elements: 44505
Diagstd> Projected matrix trace = 216647.7026
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1062 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 216647.7026
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 0.0003476 0.0015002 0.0030895 0.0237939
0.0356456 0.0664674 0.1234796 0.3869524 0.4396657
0.4989852 0.7713163 0.9236694 0.9817207 1.1567042
1.1973643 1.3685150 1.4978588 1.9404645 2.5633931
2.8819722 3.0278623 3.7255140 3.7428909 3.9581242
4.3890723 4.5757271 5.2585386 5.5585596 5.7932285
5.8263975 6.0923595 6.9093366 7.3492558 8.0555689
8.3450218 8.7421223 9.0262221 9.6042600 9.8093712
10.3213691 10.8443620 11.0228944 11.7349823 11.9920893
12.3174212 12.3372444 12.5939734 13.3147493 13.7443414
14.0396125 14.3703923 14.8314209 14.9237954 15.3804675
15.4451042 15.8659550 16.7017560 16.9317155 17.6087918
17.9395206 18.4733563 19.0516211 19.5959577 19.6562620
20.3718362 20.4830027 21.0670613 21.6120168 21.9922305
22.1002285 22.2299968 22.8826045 23.2589879 24.0521716
24.2772579 24.7412964 25.7504859 25.9260781 26.3196893
27.0093208 27.8867316 27.9330540 28.2974132 28.4316393
29.3054095 29.5481713 29.7142355 30.1065207 30.2850702
31.2153216 31.7856179 32.1062841 32.5452131 32.6636717
32.8347753 33.8109101 33.9345736 34.6872544 34.8093165
34.9531057
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034333 0.0034336 0.0034340 0.0034341
0.0034357 2.0246014 4.2060402 6.0358295 16.7505071
20.5021027 27.9962370 38.1586458 67.5497971 72.0039946
76.7077260 95.3699451 104.3646842 107.5943002 116.7902109
118.8251662 127.0340263 132.9017553 151.2683702 173.8612868
184.3487387 188.9571560 209.5986019 210.0868472 216.0428963
227.5001296 232.2872319 249.0163224 256.0214856 261.3699234
262.1170891 268.0328617 285.4390959 294.3858700 308.2076319
313.6960267 321.0729510 326.2483236 336.5326732 340.1072300
348.8702493 357.5998127 360.5314069 371.9944835 376.0475017
381.1142398 381.4207930 385.3689017 396.2431592 402.5846822
406.8860876 411.6513963 418.2025339 419.5028577 425.8729423
426.7668741 432.5421046 443.7888105 446.8335371 455.6800966
459.9394875 466.7326510 473.9813434 480.7048750 481.4439638
490.1289641 491.4644309 498.4220644 504.8274110 509.2486890
510.4975496 511.9941278 519.4550918 523.7097828 532.5647623
535.0508969 540.1402069 551.0461780 552.9217743 557.1032085
564.3546557 573.4480614 573.9241384 577.6551490 579.0235543
587.8535938 590.2834196 591.9398268 595.8343885 597.5986013
606.7072529 612.2243655 615.3047989 619.4964753 620.6228786
622.2462737 631.4278177 632.5814883 639.5584520 640.6827456
642.0046377
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8320
Rtb_to_modes> Number of blocs = 177
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: 9.9940E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.4761E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.5002E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.0895E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.3794E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.5646E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.6467E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1235
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3870
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4397
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4990
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.7713
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.9237
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.9817
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.157
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.197
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.369
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.498
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.940
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.563
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.882
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.028
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.726
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.743
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.958
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.389
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.576
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.259
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.559
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.793
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.826
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.092
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.909
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.349
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 8.056
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.345
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.742
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 9.026
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.604
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.809
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 11.02
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 11.73
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 12.32
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 13.31
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 13.74
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 14.04
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 14.37
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 14.83
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 14.92
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 15.38
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 15.45
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 15.87
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 16.70
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 16.93
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 17.94
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 18.47
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 19.05
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 19.60
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.66
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 20.37
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 20.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.07
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 21.61
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 21.99
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 22.23
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 22.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 23.26
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 24.28
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 24.74
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 25.75
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 25.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 26.32
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 27.01
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 28.43
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 29.31
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 29.55
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 29.71
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 30.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 30.29
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 31.22
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 31.79
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 32.11
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 32.55
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 32.66
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 32.83
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 33.93
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 34.69
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 34.81
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 34.95
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00001 0.99997 1.00000
0.99998 0.99999 1.00001 0.99999 1.00001
1.00001 1.00003 0.99998 0.99999 1.00002
1.00001 1.00002 1.00000 1.00002 0.99997
0.99997 1.00004 0.99998 1.00002 0.99999
0.99997 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99998 1.00004 1.00001
0.99999 0.99999 1.00000 0.99999 1.00001
1.00001 1.00001 0.99999 0.99996 1.00000
0.99998 0.99996 0.99998 1.00004 1.00005
0.99999 1.00004 1.00002 1.00000 1.00002
1.00000 1.00002 1.00000 1.00001 0.99999
1.00000 1.00000 0.99996 1.00003 0.99999
1.00001 1.00000 0.99996 0.99999 0.99997
0.99998 0.99999 0.99998 1.00001 1.00002
1.00001 0.99998 1.00003 0.99996 0.99996
0.99998 1.00000 1.00006 1.00004 0.99999
1.00001 0.99998 0.99999 1.00001 1.00001
0.99999 0.99998 1.00003 0.99999 0.99998
1.00001 0.99999 1.00002 1.00002 1.00000
1.00001 1.00002 0.99998 0.99999 0.99998
0.99995
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 149760 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00001 0.99997 1.00000
0.99998 0.99999 1.00001 0.99999 1.00001
1.00001 1.00003 0.99998 0.99999 1.00002
1.00001 1.00002 1.00000 1.00002 0.99997
0.99997 1.00004 0.99998 1.00002 0.99999
0.99997 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99998 1.00004 1.00001
0.99999 0.99999 1.00000 0.99999 1.00001
1.00001 1.00001 0.99999 0.99996 1.00000
0.99998 0.99996 0.99998 1.00004 1.00005
0.99999 1.00004 1.00002 1.00000 1.00002
1.00000 1.00002 1.00000 1.00001 0.99999
1.00000 1.00000 0.99996 1.00003 0.99999
1.00001 1.00000 0.99996 0.99999 0.99997
0.99998 0.99999 0.99998 1.00001 1.00002
1.00001 0.99998 1.00003 0.99996 0.99996
0.99998 1.00000 1.00006 1.00004 0.99999
1.00001 0.99998 0.99999 1.00001 1.00001
0.99999 0.99998 1.00003 0.99999 0.99998
1.00001 0.99999 1.00002 1.00002 1.00000
1.00001 1.00002 0.99998 0.99999 0.99998
0.99995
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> 2402071004331823655.eigenfacs
Openam> file on opening on unit 10:
2402071004331823655.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402071004331823655.atom
Openam> file on opening on unit 11:
2402071004331823655.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 = 881
First residue number = 1
Last residue number = 228
Number of atoms found = 8320
Mean number per residue = 9.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4761E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5002E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0895E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3794E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5646E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6467E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 11.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 11.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 12.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 14.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 17.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 18.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 20.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 20.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 21.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 21.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 23.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 24.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 24.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 25.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 25.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 26.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 28.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 29.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 29.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 29.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 30.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 30.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 31.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 31.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 32.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 32.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 32.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 32.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 33.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 34.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 34.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 34.95
Bfactors> 106 vectors, 24960 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 : 0.000348
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> = 7.223 +/- 8.57
Bfactors> = 15.000 +/- 0.00
Bfactors> Shiftng-fct= 7.777
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 2402071004331823655 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.7.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 2402071004331823655.7.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 2402071004331823655.7.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 2402071004331823655 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.8.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 2402071004331823655.8.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 2402071004331823655.8.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 2402071004331823655 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.9.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 2402071004331823655.9.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 2402071004331823655.9.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 2402071004331823655 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.10.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 2402071004331823655.10.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 2402071004331823655.10.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 2402071004331823655 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.11.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 2402071004331823655.11.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 2402071004331823655.11.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
getting mode 12
running: ../../bin/get_modes.sh 2402071004331823655 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.12.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 2402071004331823655.12.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 2402071004331823655.12.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 13
running: ../../bin/get_modes.sh 2402071004331823655 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.13.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 2402071004331823655.13.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 2402071004331823655.13.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 14
running: ../../bin/get_modes.sh 2402071004331823655 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.14.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 2402071004331823655.14.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 2402071004331823655.14.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 15
running: ../../bin/get_modes.sh 2402071004331823655 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.15.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 2402071004331823655.15.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 2402071004331823655.15.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 16
running: ../../bin/get_modes.sh 2402071004331823655 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=-20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=0
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=20
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=40
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=60
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=80
2402071004331823655.eigenfacs
2402071004331823655.atom
calculating perturbed structure for DQ=100
2402071004331823655.eigenfacs
2402071004331823655.atom
making animated gifs
11 models are in 2402071004331823655.16.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 2402071004331823655.16.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 2402071004331823655.16.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
2402071004331823655.10.pdb
2402071004331823655.11.pdb
2402071004331823655.12.pdb
2402071004331823655.13.pdb
2402071004331823655.14.pdb
2402071004331823655.15.pdb
2402071004331823655.16.pdb
2402071004331823655.7.pdb
2402071004331823655.8.pdb
2402071004331823655.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m39.215s
user 0m39.077s
sys 0m0.132s
../../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: 2402071004331823655.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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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