*** 01-JUN-22 ***
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 = 2404011248581849303.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 2404011248581849303.atom to be opened.
Openam> File opened: 2404011248581849303.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 = 554
First residue number = 1
Last residue number = 554
Number of atoms found = 4305
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -3.144522 +/- 13.833341 From: -34.222000 To: 35.159000
= 1.406334 +/- 11.977716 From: -27.126000 To: 31.400000
= -1.003410 +/- 17.426325 From: -38.381000 To: 80.482000
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 1.9382 % Filled.
Pdbmat> 1616539 non-zero elements.
Pdbmat> 176776 atom-atom interactions.
Pdbmat> Number per atom= 82.13 +/- 26.09
Maximum number = 130
Minimum number = 9
Pdbmat> Matrix trace = 3.535520E+06
Pdbmat> Larger element = 515.931
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
554 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 = 2404011248581849303.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 2404011248581849303.atom to be opened.
Openam> file on opening on unit 11:
2404011248581849303.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4305 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> 554 residues.
Blocpdb> 30 atoms in block 1
Block first atom: 1
Blocpdb> 23 atoms in block 2
Block first atom: 31
Blocpdb> 26 atoms in block 3
Block first atom: 54
Blocpdb> 19 atoms in block 4
Block first atom: 80
Blocpdb> 20 atoms in block 5
Block first atom: 99
Blocpdb> 20 atoms in block 6
Block first atom: 119
Blocpdb> 24 atoms in block 7
Block first atom: 139
Blocpdb> 22 atoms in block 8
Block first atom: 163
Blocpdb> 22 atoms in block 9
Block first atom: 185
Blocpdb> 23 atoms in block 10
Block first atom: 207
Blocpdb> 20 atoms in block 11
Block first atom: 230
Blocpdb> 21 atoms in block 12
Block first atom: 250
Blocpdb> 26 atoms in block 13
Block first atom: 271
Blocpdb> 21 atoms in block 14
Block first atom: 297
Blocpdb> 29 atoms in block 15
Block first atom: 318
Blocpdb> 19 atoms in block 16
Block first atom: 347
Blocpdb> 26 atoms in block 17
Block first atom: 366
Blocpdb> 18 atoms in block 18
Block first atom: 392
Blocpdb> 25 atoms in block 19
Block first atom: 410
Blocpdb> 22 atoms in block 20
Block first atom: 435
Blocpdb> 18 atoms in block 21
Block first atom: 457
Blocpdb> 27 atoms in block 22
Block first atom: 475
Blocpdb> 23 atoms in block 23
Block first atom: 502
Blocpdb> 21 atoms in block 24
Block first atom: 525
Blocpdb> 27 atoms in block 25
Block first atom: 546
Blocpdb> 27 atoms in block 26
Block first atom: 573
Blocpdb> 20 atoms in block 27
Block first atom: 600
Blocpdb> 25 atoms in block 28
Block first atom: 620
Blocpdb> 21 atoms in block 29
Block first atom: 645
Blocpdb> 23 atoms in block 30
Block first atom: 666
Blocpdb> 23 atoms in block 31
Block first atom: 689
Blocpdb> 22 atoms in block 32
Block first atom: 712
Blocpdb> 22 atoms in block 33
Block first atom: 734
Blocpdb> 25 atoms in block 34
Block first atom: 756
Blocpdb> 25 atoms in block 35
Block first atom: 781
Blocpdb> 25 atoms in block 36
Block first atom: 806
Blocpdb> 24 atoms in block 37
Block first atom: 831
Blocpdb> 23 atoms in block 38
Block first atom: 855
Blocpdb> 22 atoms in block 39
Block first atom: 878
Blocpdb> 28 atoms in block 40
Block first atom: 900
Blocpdb> 26 atoms in block 41
Block first atom: 928
Blocpdb> 20 atoms in block 42
Block first atom: 954
Blocpdb> 24 atoms in block 43
Block first atom: 974
Blocpdb> 21 atoms in block 44
Block first atom: 998
Blocpdb> 22 atoms in block 45
Block first atom: 1019
Blocpdb> 29 atoms in block 46
Block first atom: 1041
Blocpdb> 22 atoms in block 47
Block first atom: 1070
Blocpdb> 16 atoms in block 48
Block first atom: 1092
Blocpdb> 19 atoms in block 49
Block first atom: 1108
Blocpdb> 15 atoms in block 50
Block first atom: 1127
Blocpdb> 27 atoms in block 51
Block first atom: 1142
Blocpdb> 17 atoms in block 52
Block first atom: 1169
Blocpdb> 19 atoms in block 53
Block first atom: 1186
Blocpdb> 27 atoms in block 54
Block first atom: 1205
Blocpdb> 21 atoms in block 55
Block first atom: 1232
Blocpdb> 22 atoms in block 56
Block first atom: 1253
Blocpdb> 32 atoms in block 57
Block first atom: 1275
Blocpdb> 20 atoms in block 58
Block first atom: 1307
Blocpdb> 26 atoms in block 59
Block first atom: 1327
Blocpdb> 24 atoms in block 60
Block first atom: 1353
Blocpdb> 21 atoms in block 61
Block first atom: 1377
Blocpdb> 23 atoms in block 62
Block first atom: 1398
Blocpdb> 26 atoms in block 63
Block first atom: 1421
Blocpdb> 23 atoms in block 64
Block first atom: 1447
Blocpdb> 25 atoms in block 65
Block first atom: 1470
Blocpdb> 18 atoms in block 66
Block first atom: 1495
Blocpdb> 32 atoms in block 67
Block first atom: 1513
Blocpdb> 25 atoms in block 68
Block first atom: 1545
Blocpdb> 21 atoms in block 69
Block first atom: 1570
Blocpdb> 19 atoms in block 70
Block first atom: 1591
Blocpdb> 23 atoms in block 71
Block first atom: 1610
Blocpdb> 20 atoms in block 72
Block first atom: 1633
Blocpdb> 23 atoms in block 73
Block first atom: 1653
Blocpdb> 21 atoms in block 74
Block first atom: 1676
Blocpdb> 16 atoms in block 75
Block first atom: 1697
Blocpdb> 19 atoms in block 76
Block first atom: 1713
Blocpdb> 22 atoms in block 77
Block first atom: 1732
Blocpdb> 21 atoms in block 78
Block first atom: 1754
Blocpdb> 21 atoms in block 79
Block first atom: 1775
Blocpdb> 27 atoms in block 80
Block first atom: 1796
Blocpdb> 26 atoms in block 81
Block first atom: 1823
Blocpdb> 23 atoms in block 82
Block first atom: 1849
Blocpdb> 17 atoms in block 83
Block first atom: 1872
Blocpdb> 23 atoms in block 84
Block first atom: 1889
Blocpdb> 22 atoms in block 85
Block first atom: 1912
Blocpdb> 22 atoms in block 86
Block first atom: 1934
Blocpdb> 25 atoms in block 87
Block first atom: 1956
Blocpdb> 20 atoms in block 88
Block first atom: 1981
Blocpdb> 25 atoms in block 89
Block first atom: 2001
Blocpdb> 20 atoms in block 90
Block first atom: 2026
Blocpdb> 21 atoms in block 91
Block first atom: 2046
Blocpdb> 23 atoms in block 92
Block first atom: 2067
Blocpdb> 17 atoms in block 93
Block first atom: 2090
Blocpdb> 20 atoms in block 94
Block first atom: 2107
Blocpdb> 23 atoms in block 95
Block first atom: 2127
Blocpdb> 29 atoms in block 96
Block first atom: 2150
Blocpdb> 22 atoms in block 97
Block first atom: 2179
Blocpdb> 25 atoms in block 98
Block first atom: 2201
Blocpdb> 23 atoms in block 99
Block first atom: 2226
Blocpdb> 21 atoms in block 100
Block first atom: 2249
Blocpdb> 28 atoms in block 101
Block first atom: 2270
Blocpdb> 22 atoms in block 102
Block first atom: 2298
Blocpdb> 21 atoms in block 103
Block first atom: 2320
Blocpdb> 24 atoms in block 104
Block first atom: 2341
Blocpdb> 18 atoms in block 105
Block first atom: 2365
Blocpdb> 24 atoms in block 106
Block first atom: 2383
Blocpdb> 21 atoms in block 107
Block first atom: 2407
Blocpdb> 25 atoms in block 108
Block first atom: 2428
Blocpdb> 23 atoms in block 109
Block first atom: 2453
Blocpdb> 25 atoms in block 110
Block first atom: 2476
Blocpdb> 21 atoms in block 111
Block first atom: 2501
Blocpdb> 27 atoms in block 112
Block first atom: 2522
Blocpdb> 23 atoms in block 113
Block first atom: 2549
Blocpdb> 27 atoms in block 114
Block first atom: 2572
Blocpdb> 29 atoms in block 115
Block first atom: 2599
Blocpdb> 23 atoms in block 116
Block first atom: 2628
Blocpdb> 24 atoms in block 117
Block first atom: 2651
Blocpdb> 25 atoms in block 118
Block first atom: 2675
Blocpdb> 24 atoms in block 119
Block first atom: 2700
Blocpdb> 21 atoms in block 120
Block first atom: 2724
Blocpdb> 26 atoms in block 121
Block first atom: 2745
Blocpdb> 18 atoms in block 122
Block first atom: 2771
Blocpdb> 24 atoms in block 123
Block first atom: 2789
Blocpdb> 33 atoms in block 124
Block first atom: 2813
Blocpdb> 25 atoms in block 125
Block first atom: 2846
Blocpdb> 24 atoms in block 126
Block first atom: 2871
Blocpdb> 21 atoms in block 127
Block first atom: 2895
Blocpdb> 23 atoms in block 128
Block first atom: 2916
Blocpdb> 20 atoms in block 129
Block first atom: 2939
Blocpdb> 30 atoms in block 130
Block first atom: 2959
Blocpdb> 23 atoms in block 131
Block first atom: 2989
Blocpdb> 23 atoms in block 132
Block first atom: 3012
Blocpdb> 21 atoms in block 133
Block first atom: 3035
Blocpdb> 24 atoms in block 134
Block first atom: 3056
Blocpdb> 24 atoms in block 135
Block first atom: 3080
Blocpdb> 27 atoms in block 136
Block first atom: 3104
Blocpdb> 20 atoms in block 137
Block first atom: 3131
Blocpdb> 26 atoms in block 138
Block first atom: 3151
Blocpdb> 20 atoms in block 139
Block first atom: 3177
Blocpdb> 23 atoms in block 140
Block first atom: 3197
Blocpdb> 23 atoms in block 141
Block first atom: 3220
Blocpdb> 27 atoms in block 142
Block first atom: 3243
Blocpdb> 16 atoms in block 143
Block first atom: 3270
Blocpdb> 25 atoms in block 144
Block first atom: 3286
Blocpdb> 29 atoms in block 145
Block first atom: 3311
Blocpdb> 34 atoms in block 146
Block first atom: 3340
Blocpdb> 24 atoms in block 147
Block first atom: 3374
Blocpdb> 24 atoms in block 148
Block first atom: 3398
Blocpdb> 28 atoms in block 149
Block first atom: 3422
Blocpdb> 23 atoms in block 150
Block first atom: 3450
Blocpdb> 20 atoms in block 151
Block first atom: 3473
Blocpdb> 22 atoms in block 152
Block first atom: 3493
Blocpdb> 25 atoms in block 153
Block first atom: 3515
Blocpdb> 29 atoms in block 154
Block first atom: 3540
Blocpdb> 20 atoms in block 155
Block first atom: 3569
Blocpdb> 23 atoms in block 156
Block first atom: 3589
Blocpdb> 22 atoms in block 157
Block first atom: 3612
Blocpdb> 20 atoms in block 158
Block first atom: 3634
Blocpdb> 25 atoms in block 159
Block first atom: 3654
Blocpdb> 22 atoms in block 160
Block first atom: 3679
Blocpdb> 24 atoms in block 161
Block first atom: 3701
Blocpdb> 28 atoms in block 162
Block first atom: 3725
Blocpdb> 27 atoms in block 163
Block first atom: 3753
Blocpdb> 27 atoms in block 164
Block first atom: 3780
Blocpdb> 20 atoms in block 165
Block first atom: 3807
Blocpdb> 19 atoms in block 166
Block first atom: 3827
Blocpdb> 21 atoms in block 167
Block first atom: 3846
Blocpdb> 31 atoms in block 168
Block first atom: 3867
Blocpdb> 28 atoms in block 169
Block first atom: 3898
Blocpdb> 26 atoms in block 170
Block first atom: 3926
Blocpdb> 25 atoms in block 171
Block first atom: 3952
Blocpdb> 25 atoms in block 172
Block first atom: 3977
Blocpdb> 16 atoms in block 173
Block first atom: 4002
Blocpdb> 25 atoms in block 174
Block first atom: 4018
Blocpdb> 25 atoms in block 175
Block first atom: 4043
Blocpdb> 22 atoms in block 176
Block first atom: 4068
Blocpdb> 25 atoms in block 177
Block first atom: 4090
Blocpdb> 30 atoms in block 178
Block first atom: 4115
Blocpdb> 24 atoms in block 179
Block first atom: 4145
Blocpdb> 22 atoms in block 180
Block first atom: 4169
Blocpdb> 22 atoms in block 181
Block first atom: 4191
Blocpdb> 24 atoms in block 182
Block first atom: 4213
Blocpdb> 23 atoms in block 183
Block first atom: 4237
Blocpdb> 26 atoms in block 184
Block first atom: 4260
Blocpdb> 20 atoms in block 185
Block first atom: 4285
Blocpdb> 185 blocks.
Blocpdb> At most, 34 atoms in each of them.
Blocpdb> At least, 15 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> 1616724 matrix lines read.
Prepmat> Matrix order = 12915
Prepmat> Matrix trace = 3535520.0000
Prepmat> Last element read: 12915 12915 36.9388
Prepmat> 17206 lines saved.
Prepmat> 15276 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: 4305
RTB> Total mass = 4305.0000
RTB> Number of atoms found in matrix: 4305
RTB> Number of blocks = 185
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 239669.3412
RTB> 66669 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1110
Diagstd> Nb of non-zero elements: 66669
Diagstd> Projected matrix trace = 239669.3412
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1110 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 239669.3412
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 0.0015445 0.0023786 0.0331169 0.0537831
0.1139646 0.3306742 0.4768366 0.6373202 0.7452117
1.3005549 1.5244094 1.6318842 1.6778696 2.1942109
2.3489146 2.8173252 3.3660323 4.2137064 4.2706727
4.3846750 4.8442567 5.2442388 5.6278013 6.0296844
6.4832389 7.0467845 7.1440509 7.7349338 7.9355856
8.4808766 9.3823475 9.6261750 10.1293236 10.6778028
11.4343227 12.1118655 12.5309713 13.0050644 13.4634291
13.6417567 13.9559984 14.2805243 14.6995646 15.0420446
15.7407641 16.3431702 16.3639765 16.8871874 17.2594495
17.7937083 17.8907510 18.3752255 18.8014858 19.3719110
19.7234841 20.5820556 20.8211300 21.0944871 21.3878217
21.7659599 22.4807687 22.6440160 22.9828868 23.3202922
23.6588307 23.8491294 24.6237338 25.4557447 25.7887849
26.4612238 27.1730794 27.3828547 27.5504597 28.2930123
29.1691353 29.4238382 29.8501811 30.4845992 30.6495789
31.1468618 31.4474976 31.9828395 32.3094237 32.5369769
32.8769078 33.5520912 34.0197961 34.2366207 34.8082632
35.1954109 35.4073342 35.7809430 36.4403869 37.2282248
37.3872200 38.1121354 38.1927526 38.4155193 39.5569259
39.8297625
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034329 0.0034329 0.0034331 0.0034332
0.0034351 4.2676737 5.2961244 19.7615056 25.1836195
36.6589703 62.4446795 74.9859802 86.6910211 93.7421939
123.8396256 134.0744714 138.7202777 140.6612208 160.8549632
166.4289579 182.2694024 199.2298559 222.9089032 224.4106304
227.3861365 239.0060290 248.6775098 257.6111514 266.6506036
276.4975544 288.2642426 290.2468739 302.0115707 305.9037294
316.2391642 332.6220505 336.9164031 345.6093650 354.8429890
367.1981659 377.9208046 384.4037790 391.6079810 398.4493513
401.0794677 405.6726570 410.3622073 416.3394036 421.1615510
430.8322311 438.9988994 439.2782536 446.2455944 451.1373147
458.0664809 459.3138767 465.4913540 470.8595313 477.9489511
482.2665022 492.6513235 495.5043000 498.7463897 502.2021383
506.6221720 514.8738783 516.7399117 520.5920955 524.3995064
528.1921209 530.3121105 538.8553933 547.8834521 551.4558149
558.5991152 566.0629220 568.2437152 569.9801159 577.6102273
586.4852013 589.0402099 593.2923735 599.5639675 601.1841695
606.0415886 608.9593834 614.1207758 617.2482765 619.4180827
622.6453683 629.0064189 633.3753153 635.3905125 640.6730526
644.2260768 646.1627163 649.5628390 655.5212431 662.5695064
663.9828572 670.3890646 671.0977147 673.0520234 682.9777372
685.3290455
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4305
Rtb_to_modes> Number of blocs = 185
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9863E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.5445E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.3786E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.3117E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.3783E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1140
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3307
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4768
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.6373
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.7452
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.301
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.524
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.632
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.678
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.194
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.349
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.817
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.366
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.214
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.271
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.385
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.844
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.244
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 5.628
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.030
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 6.483
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.047
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.144
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.735
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.936
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 8.481
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.382
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.626
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.13
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.68
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 12.11
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 12.53
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 13.46
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 13.64
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.96
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 14.28
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 14.70
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 15.04
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 15.74
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.26
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.79
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 18.80
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.37
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 19.72
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.58
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 21.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 21.77
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 22.48
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.98
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 23.32
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 23.85
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 24.62
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.46
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 25.79
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.46
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 27.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 27.38
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 27.55
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 28.29
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 29.17
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 29.42
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 29.85
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 30.48
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 30.65
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 31.45
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 31.98
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.31
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 32.54
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 32.88
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 33.55
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 34.02
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 34.81
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 35.20
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 35.41
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 35.78
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 36.44
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 37.39
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 38.11
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 38.19
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 38.42
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 39.56
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 39.83
Rtb_to_modes> 106 vectors, with 1110 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99999 1.00001 0.99999 0.99996
1.00004 1.00002 1.00000 1.00002 0.99995
0.99997 1.00000 1.00004 0.99996 0.99997
0.99999 0.99999 1.00000 0.99998 0.99997
1.00000 1.00001 0.99998 0.99999 0.99999
0.99999 1.00002 1.00003 1.00001 0.99999
1.00000 0.99998 0.99998 1.00001 1.00001
0.99999 1.00001 0.99997 1.00001 0.99999
1.00004 0.99999 0.99999 1.00001 1.00000
1.00002 0.99999 0.99997 1.00001 1.00000
1.00001 0.99996 1.00000 0.99998 1.00002
0.99999 0.99997 1.00002 0.99997 0.99998
1.00000 0.99998 1.00001 0.99998 0.99998
1.00000 0.99998 0.99998 1.00000 0.99999
0.99999 1.00002 1.00000 0.99999 1.00002
1.00000 1.00000 0.99997 1.00001 0.99999
0.99999 0.99999 1.00001 0.99999 1.00003
1.00001 0.99998 1.00000 0.99997 0.99997
0.99999 1.00001 1.00002 1.00000 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 77490 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99999 1.00001 0.99999 0.99996
1.00004 1.00002 1.00000 1.00002 0.99995
0.99997 1.00000 1.00004 0.99996 0.99997
0.99999 0.99999 1.00000 0.99998 0.99997
1.00000 1.00001 0.99998 0.99999 0.99999
0.99999 1.00002 1.00003 1.00001 0.99999
1.00000 0.99998 0.99998 1.00001 1.00001
0.99999 1.00001 0.99997 1.00001 0.99999
1.00004 0.99999 0.99999 1.00001 1.00000
1.00002 0.99999 0.99997 1.00001 1.00000
1.00001 0.99996 1.00000 0.99998 1.00002
0.99999 0.99997 1.00002 0.99997 0.99998
1.00000 0.99998 1.00001 0.99998 0.99998
1.00000 0.99998 0.99998 1.00000 0.99999
0.99999 1.00002 1.00000 0.99999 1.00002
1.00000 1.00000 0.99997 1.00001 0.99999
0.99999 0.99999 1.00001 0.99999 1.00003
1.00001 0.99998 1.00000 0.99997 0.99997
0.99999 1.00001 1.00002 1.00000 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5:-0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000 0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000-0.000 0.000-0.000 0.000 0.000-0.000-0.000
Vector 10: 0.000-0.000-0.000 0.000 0.000 0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404011248581849303.eigenfacs
Openam> file on opening on unit 10:
2404011248581849303.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404011248581849303.atom
Openam> file on opening on unit 11:
2404011248581849303.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 = 554
First residue number = 1
Last residue number = 554
Number of atoms found = 4305
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9863E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5445E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3786E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3117E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.3783E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 6.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 8.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 12.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 12.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 14.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 15.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 15.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 19.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 21.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 22.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 23.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 23.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 24.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 25.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 27.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 27.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 27.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 28.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 29.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 29.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 29.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 30.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 30.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 31.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 31.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 32.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 32.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 33.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 34.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 34.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 35.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 35.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 35.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 36.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 37.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 38.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 38.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 38.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 39.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 39.83
Bfactors> 106 vectors, 12915 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 : 0.001545
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= -0.410 for 554 C-alpha atoms.
Bfactors> = 3.586 +/- 22.42
Bfactors> = 91.157 +/- 14.06
Bfactors> Shiftng-fct= 87.570
Bfactors> Scaling-fct= 0.627
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404011248581849303 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=0
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=100
2404011248581849303.eigenfacs
2404011248581849303.atom
making animated gifs
11 models are in 2404011248581849303.7.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 2404011248581849303.7.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 2404011248581849303.7.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 2404011248581849303 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=0
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=100
2404011248581849303.eigenfacs
2404011248581849303.atom
making animated gifs
11 models are in 2404011248581849303.8.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 2404011248581849303.8.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 2404011248581849303.8.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 2404011248581849303 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=0
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=100
2404011248581849303.eigenfacs
2404011248581849303.atom
making animated gifs
11 models are in 2404011248581849303.9.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 2404011248581849303.9.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 2404011248581849303.9.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 2404011248581849303 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=0
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=100
2404011248581849303.eigenfacs
2404011248581849303.atom
making animated gifs
11 models are in 2404011248581849303.10.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 2404011248581849303.10.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 2404011248581849303.10.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 2404011248581849303 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=-20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=0
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=20
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=40
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=60
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=80
2404011248581849303.eigenfacs
2404011248581849303.atom
calculating perturbed structure for DQ=100
2404011248581849303.eigenfacs
2404011248581849303.atom
making animated gifs
11 models are in 2404011248581849303.11.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 2404011248581849303.11.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 2404011248581849303.11.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
2404011248581849303.10.pdb
2404011248581849303.11.pdb
2404011248581849303.7.pdb
2404011248581849303.8.pdb
2404011248581849303.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.225s
user 0m25.128s
sys 0m0.096s
../../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: 2404011248581849303.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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