*** ***
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 = 2402121133072496986.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 2402121133072496986.atom to be opened.
Openam> File opened: 2402121133072496986.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 = 1081
First residue number = 32
Last residue number = 1234
Number of atoms found = 8324
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 166.954935 +/- 19.762263 From: 109.886000 To: 218.945000
= 162.143910 +/- 29.600795 From: 106.300000 To: 220.412000
= 161.977325 +/- 34.696692 From: 98.345000 To: 219.370000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.9459 % Filled.
Pdbmat> 2949424 non-zero elements.
Pdbmat> 322225 atom-atom interactions.
Pdbmat> Number per atom= 77.42 +/- 19.92
Maximum number = 134
Minimum number = 14
Pdbmat> Matrix trace = 6.444500E+06
Pdbmat> Larger element = 534.832
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1081 non-zero elements, NRBL set to 6
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 = 2402121133072496986.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2402121133072496986.atom to be opened.
Openam> file on opening on unit 11:
2402121133072496986.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8324 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1081 residues.
Blocpdb> 46 atoms in block 1
Block first atom: 1
Blocpdb> 53 atoms in block 2
Block first atom: 47
Blocpdb> 45 atoms in block 3
Block first atom: 100
Blocpdb> 45 atoms in block 4
Block first atom: 145
Blocpdb> 46 atoms in block 5
Block first atom: 190
Blocpdb> 43 atoms in block 6
Block first atom: 236
Blocpdb> 46 atoms in block 7
Block first atom: 279
Blocpdb> 40 atoms in block 8
Block first atom: 325
Blocpdb> 45 atoms in block 9
Block first atom: 365
Blocpdb> 53 atoms in block 10
Block first atom: 410
Blocpdb> 51 atoms in block 11
Block first atom: 463
Blocpdb> 44 atoms in block 12
Block first atom: 514
Blocpdb> 54 atoms in block 13
Block first atom: 558
Blocpdb> 43 atoms in block 14
Block first atom: 612
Blocpdb> 49 atoms in block 15
Block first atom: 655
Blocpdb> 45 atoms in block 16
Block first atom: 704
Blocpdb> 46 atoms in block 17
Block first atom: 749
Blocpdb> 52 atoms in block 18
Block first atom: 795
Blocpdb> 42 atoms in block 19
Block first atom: 847
Blocpdb> 44 atoms in block 20
Block first atom: 889
Blocpdb> 49 atoms in block 21
Block first atom: 933
Blocpdb> 42 atoms in block 22
Block first atom: 982
Blocpdb> 53 atoms in block 23
Block first atom: 1024
Blocpdb> 43 atoms in block 24
Block first atom: 1077
Blocpdb> 47 atoms in block 25
Block first atom: 1120
Blocpdb> 52 atoms in block 26
Block first atom: 1167
Blocpdb> 52 atoms in block 27
Block first atom: 1219
Blocpdb> 46 atoms in block 28
Block first atom: 1271
Blocpdb> 46 atoms in block 29
Block first atom: 1317
Blocpdb> 46 atoms in block 30
Block first atom: 1363
Blocpdb> 44 atoms in block 31
Block first atom: 1409
Blocpdb> 37 atoms in block 32
Block first atom: 1453
Blocpdb> 50 atoms in block 33
Block first atom: 1490
Blocpdb> 52 atoms in block 34
Block first atom: 1540
Blocpdb> 45 atoms in block 35
Block first atom: 1592
Blocpdb> 36 atoms in block 36
Block first atom: 1637
Blocpdb> 53 atoms in block 37
Block first atom: 1673
Blocpdb> 49 atoms in block 38
Block first atom: 1726
Blocpdb> 42 atoms in block 39
Block first atom: 1775
Blocpdb> 11 atoms in block 40
Block first atom: 1817
Blocpdb> 45 atoms in block 41
Block first atom: 1828
Blocpdb> 43 atoms in block 42
Block first atom: 1873
Blocpdb> 52 atoms in block 43
Block first atom: 1916
Blocpdb> 46 atoms in block 44
Block first atom: 1968
Blocpdb> 50 atoms in block 45
Block first atom: 2014
Blocpdb> 55 atoms in block 46
Block first atom: 2064
Blocpdb> 46 atoms in block 47
Block first atom: 2119
Blocpdb> 47 atoms in block 48
Block first atom: 2165
Blocpdb> 43 atoms in block 49
Block first atom: 2212
Blocpdb> 47 atoms in block 50
Block first atom: 2255
Blocpdb> 44 atoms in block 51
Block first atom: 2302
Blocpdb> 39 atoms in block 52
Block first atom: 2346
Blocpdb> 51 atoms in block 53
Block first atom: 2385
Blocpdb> 45 atoms in block 54
Block first atom: 2436
Blocpdb> 9 atoms in block 55
Block first atom: 2481
Blocpdb> 46 atoms in block 56
Block first atom: 2490
Blocpdb> 46 atoms in block 57
Block first atom: 2536
Blocpdb> 44 atoms in block 58
Block first atom: 2582
Blocpdb> 43 atoms in block 59
Block first atom: 2626
Blocpdb> 52 atoms in block 60
Block first atom: 2669
Blocpdb> 38 atoms in block 61
Block first atom: 2721
Blocpdb> 47 atoms in block 62
Block first atom: 2759
Blocpdb> 56 atoms in block 63
Block first atom: 2806
Blocpdb> 48 atoms in block 64
Block first atom: 2862
Blocpdb> 50 atoms in block 65
Block first atom: 2910
Blocpdb> 43 atoms in block 66
Block first atom: 2960
Blocpdb> 39 atoms in block 67
Block first atom: 3003
Blocpdb> 53 atoms in block 68
Block first atom: 3042
Blocpdb> 39 atoms in block 69
Block first atom: 3095
Blocpdb> 51 atoms in block 70
Block first atom: 3134
Blocpdb> 56 atoms in block 71
Block first atom: 3185
Blocpdb> 50 atoms in block 72
Block first atom: 3241
Blocpdb> 52 atoms in block 73
Block first atom: 3291
Blocpdb> 50 atoms in block 74
Block first atom: 3343
Blocpdb> 43 atoms in block 75
Block first atom: 3393
Blocpdb> 51 atoms in block 76
Block first atom: 3436
Blocpdb> 38 atoms in block 77
Block first atom: 3487
Blocpdb> 49 atoms in block 78
Block first atom: 3525
Blocpdb> 46 atoms in block 79
Block first atom: 3574
Blocpdb> 43 atoms in block 80
Block first atom: 3620
Blocpdb> 38 atoms in block 81
Block first atom: 3663
Blocpdb> 48 atoms in block 82
Block first atom: 3701
Blocpdb> 48 atoms in block 83
Block first atom: 3749
Blocpdb> 37 atoms in block 84
Block first atom: 3797
Blocpdb> 47 atoms in block 85
Block first atom: 3834
Blocpdb> 47 atoms in block 86
Block first atom: 3881
Blocpdb> 40 atoms in block 87
Block first atom: 3928
Blocpdb> 42 atoms in block 88
Block first atom: 3968
Blocpdb> 43 atoms in block 89
Block first atom: 4010
Blocpdb> 50 atoms in block 90
Block first atom: 4053
Blocpdb> 56 atoms in block 91
Block first atom: 4103
Blocpdb> 42 atoms in block 92
Block first atom: 4159
Blocpdb> 42 atoms in block 93
Block first atom: 4201
Blocpdb> 49 atoms in block 94
Block first atom: 4243
Blocpdb> 45 atoms in block 95
Block first atom: 4292
Blocpdb> 41 atoms in block 96
Block first atom: 4337
Blocpdb> 47 atoms in block 97
Block first atom: 4378
Blocpdb> 44 atoms in block 98
Block first atom: 4425
Blocpdb> 46 atoms in block 99
Block first atom: 4469
Blocpdb> 40 atoms in block 100
Block first atom: 4515
Blocpdb> 48 atoms in block 101
Block first atom: 4555
Blocpdb> 49 atoms in block 102
Block first atom: 4603
Blocpdb> 34 atoms in block 103
Block first atom: 4652
Blocpdb> 51 atoms in block 104
Block first atom: 4686
Blocpdb> 49 atoms in block 105
Block first atom: 4737
Blocpdb> 47 atoms in block 106
Block first atom: 4786
Blocpdb> 47 atoms in block 107
Block first atom: 4833
Blocpdb> 48 atoms in block 108
Block first atom: 4880
Blocpdb> 49 atoms in block 109
Block first atom: 4928
Blocpdb> 41 atoms in block 110
Block first atom: 4977
Blocpdb> 54 atoms in block 111
Block first atom: 5018
Blocpdb> 45 atoms in block 112
Block first atom: 5072
Blocpdb> 43 atoms in block 113
Block first atom: 5117
Blocpdb> 48 atoms in block 114
Block first atom: 5160
Blocpdb> 44 atoms in block 115
Block first atom: 5208
Blocpdb> 51 atoms in block 116
Block first atom: 5252
Blocpdb> 52 atoms in block 117
Block first atom: 5303
Blocpdb> 52 atoms in block 118
Block first atom: 5355
Blocpdb> 48 atoms in block 119
Block first atom: 5407
Blocpdb> 56 atoms in block 120
Block first atom: 5455
Blocpdb> 42 atoms in block 121
Block first atom: 5511
Blocpdb> 47 atoms in block 122
Block first atom: 5553
Blocpdb> 54 atoms in block 123
Block first atom: 5600
Blocpdb> 44 atoms in block 124
Block first atom: 5654
Blocpdb> 34 atoms in block 125
Block first atom: 5698
Blocpdb> 50 atoms in block 126
Block first atom: 5732
Blocpdb> 48 atoms in block 127
Block first atom: 5782
Blocpdb> 43 atoms in block 128
Block first atom: 5830
Blocpdb> 32 atoms in block 129
Block first atom: 5873
Blocpdb> 47 atoms in block 130
Block first atom: 5905
Blocpdb> 43 atoms in block 131
Block first atom: 5952
Blocpdb> 42 atoms in block 132
Block first atom: 5995
Blocpdb> 38 atoms in block 133
Block first atom: 6037
Blocpdb> 47 atoms in block 134
Block first atom: 6075
Blocpdb> 40 atoms in block 135
Block first atom: 6122
Blocpdb> 45 atoms in block 136
Block first atom: 6162
Blocpdb> 39 atoms in block 137
Block first atom: 6207
Blocpdb> 44 atoms in block 138
Block first atom: 6246
Blocpdb> 47 atoms in block 139
Block first atom: 6290
Blocpdb> 43 atoms in block 140
Block first atom: 6337
Blocpdb> 41 atoms in block 141
Block first atom: 6380
Blocpdb> 47 atoms in block 142
Block first atom: 6421
Blocpdb> 39 atoms in block 143
Block first atom: 6468
Blocpdb> 49 atoms in block 144
Block first atom: 6507
Blocpdb> 54 atoms in block 145
Block first atom: 6556
Blocpdb> 40 atoms in block 146
Block first atom: 6610
Blocpdb> 47 atoms in block 147
Block first atom: 6650
Blocpdb> 46 atoms in block 148
Block first atom: 6697
Blocpdb> 43 atoms in block 149
Block first atom: 6743
Blocpdb> 39 atoms in block 150
Block first atom: 6786
Blocpdb> 51 atoms in block 151
Block first atom: 6825
Blocpdb> 45 atoms in block 152
Block first atom: 6876
Blocpdb> 57 atoms in block 153
Block first atom: 6921
Blocpdb> 48 atoms in block 154
Block first atom: 6978
Blocpdb> 46 atoms in block 155
Block first atom: 7026
Blocpdb> 55 atoms in block 156
Block first atom: 7072
Blocpdb> 51 atoms in block 157
Block first atom: 7127
Blocpdb> 45 atoms in block 158
Block first atom: 7178
Blocpdb> 50 atoms in block 159
Block first atom: 7223
Blocpdb> 38 atoms in block 160
Block first atom: 7273
Blocpdb> 43 atoms in block 161
Block first atom: 7311
Blocpdb> 50 atoms in block 162
Block first atom: 7354
Blocpdb> 48 atoms in block 163
Block first atom: 7404
Blocpdb> 54 atoms in block 164
Block first atom: 7452
Blocpdb> 44 atoms in block 165
Block first atom: 7506
Blocpdb> 38 atoms in block 166
Block first atom: 7550
Blocpdb> 47 atoms in block 167
Block first atom: 7588
Blocpdb> 39 atoms in block 168
Block first atom: 7635
Blocpdb> 43 atoms in block 169
Block first atom: 7674
Blocpdb> 55 atoms in block 170
Block first atom: 7717
Blocpdb> 43 atoms in block 171
Block first atom: 7772
Blocpdb> 41 atoms in block 172
Block first atom: 7815
Blocpdb> 37 atoms in block 173
Block first atom: 7856
Blocpdb> 53 atoms in block 174
Block first atom: 7893
Blocpdb> 51 atoms in block 175
Block first atom: 7946
Blocpdb> 45 atoms in block 176
Block first atom: 7997
Blocpdb> 35 atoms in block 177
Block first atom: 8042
Blocpdb> 43 atoms in block 178
Block first atom: 8077
Blocpdb> 40 atoms in block 179
Block first atom: 8120
Blocpdb> 40 atoms in block 180
Block first atom: 8160
Blocpdb> 38 atoms in block 181
Block first atom: 8200
Blocpdb> 53 atoms in block 182
Block first atom: 8238
Blocpdb> 34 atoms in block 183
Block first atom: 8290
Blocpdb> 183 blocks.
Blocpdb> At most, 57 atoms in each of them.
Blocpdb> At least, 9 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> 2949607 matrix lines read.
Prepmat> Matrix order = 24972
Prepmat> Matrix trace = 6444500.0000
Prepmat> Last element read: 24972 24972 71.0511
Prepmat> 16837 lines saved.
Prepmat> 15492 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: 8324
RTB> Total mass = 8324.0000
RTB> Number of atoms found in matrix: 8324
RTB> Number of blocks = 183
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 181915.0607
RTB> 45639 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 = 1098
Diagstd> Nb of non-zero elements: 45639
Diagstd> Projected matrix trace = 181915.0607
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1098 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 181915.0607
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 0.0043484 0.0087470 0.0162175 0.0378621
0.0544644 0.1070979 0.1392002 0.2569171 0.2829473
0.4105265 0.4581638 0.6185903 0.8463695 0.9283557
1.0175367 1.0529936 1.2258098 1.7626137 1.9964246
2.2209378 2.5300692 2.9235920 3.0908651 3.4649003
4.1378489 4.4863582 4.6912738 4.9534331 5.5748251
5.9041545 6.1704191 6.8784470 7.1797991 7.3343654
7.8209891 8.1597199 8.7216846 9.0307033 9.1583159
9.9107942 10.2026484 10.3422480 10.3743627 11.3545917
11.9258418 12.5600606 12.7662113 14.2328430 14.4642115
14.6167367 14.9756315 15.3014673 15.9186905 16.0795231
16.7539828 17.0918887 17.8337647 18.0119259 18.7435334
19.3807156 19.6867155 20.0170785 20.0740517 20.5596227
20.9639511 21.2073857 21.2553755 21.5851972 22.1148672
23.5558443 23.9190830 24.4548553 24.5533367 24.8752785
25.2460033 25.3452385 25.8263079 26.0627078 26.4530468
26.6463165 27.7726504 27.9535859 28.2116001 28.3524048
28.6981458 29.1094443 29.4954458 29.7148274 29.9130830
30.1257770 30.8070888 31.0601930 31.7356164 31.9109169
32.1649421 32.7278308 33.1364043 33.4419997 33.5184265
33.6023022
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034330 0.0034339 0.0034342 0.0034344
0.0034355 7.1607363 10.1560755 13.8289063 21.1299222
25.3426329 35.5374073 40.5149352 55.0416925 57.7627737
69.5770294 73.5030981 85.4076647 99.9022501 104.6291004
109.5393903 111.4315451 120.2283353 144.1696503 153.4340439
161.8316545 172.7274957 185.6750981 190.9129143 202.1345968
220.8933268 230.0076341 235.2018155 241.6842965 256.3957992
263.8603510 269.7445083 284.8003242 290.9721526 294.0874902
303.6869429 310.1936514 320.6974220 326.3292976 328.6268852
341.8609606 346.8580198 349.2229325 349.7647142 365.9156986
375.0073687 384.8496955 387.9951477 409.6765535 412.9929728
415.1647696 420.2307733 424.7778079 433.2603541 435.4435498
444.4821379 448.9420736 458.5817810 460.8667282 470.1332982
478.0575538 481.8167715 485.8426379 486.5335562 492.3827739
497.2008351 500.0792654 500.6447555 504.5140793 510.6665935
527.0412629 531.0892899 537.0043811 538.0845722 541.6007492
545.6216534 546.6929478 551.8568563 554.3768009 558.5127998
560.5493729 572.2739060 574.1350279 576.7786019 578.2161669
581.7309888 585.8848090 589.7565355 591.9457219 593.9171524
596.0249068 602.7269496 605.1978199 611.7426347 613.4298730
615.8666223 621.2321042 625.0978002 627.9736188 628.6907803
629.4768992
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8324
Rtb_to_modes> Number of blocs = 183
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: 9.9901E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.3484E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.7470E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.6218E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.7862E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.4464E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1071
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1392
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2569
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2829
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4105
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4582
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6186
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8464
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9284
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.018
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.053
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.226
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.763
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.996
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.221
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.530
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.924
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.091
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.465
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.138
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.486
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.691
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.953
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.575
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.904
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.170
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.878
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.180
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.334
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.821
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.160
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.722
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.031
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.158
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.911
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.20
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.35
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 11.93
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 12.56
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 14.46
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 14.62
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 14.98
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 15.30
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 15.92
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 16.75
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 17.09
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 17.83
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 18.01
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 18.74
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 19.38
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 19.69
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 20.02
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 20.07
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 20.56
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 20.96
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 21.21
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.26
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 22.11
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 23.92
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 24.45
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 24.55
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 24.88
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 25.35
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 25.83
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 26.06
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 26.45
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 26.65
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 27.77
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 27.95
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 28.21
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 28.35
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 28.70
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 29.11
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 29.50
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 29.71
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 29.91
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 30.81
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 31.06
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 31.74
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 31.91
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 32.16
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 32.73
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 33.14
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 33.44
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 33.52
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 33.60
Rtb_to_modes> 106 vectors, with 1098 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 1.00001 0.99998 0.99999
1.00002 1.00002 0.99999 0.99999 1.00000
0.99998 0.99999 1.00001 1.00000 0.99999
0.99999 1.00002 0.99997 0.99999 0.99998
0.99998 1.00000 0.99999 1.00000 1.00002
0.99999 1.00001 1.00002 1.00003 0.99999
1.00000 1.00001 1.00004 0.99997 1.00000
1.00002 0.99997 1.00000 1.00001 0.99998
1.00002 1.00005 0.99999 1.00000 0.99996
1.00001 0.99999 1.00000 1.00000 0.99996
0.99999 1.00000 1.00001 1.00002 1.00002
0.99999 1.00003 1.00003 1.00000 1.00002
1.00000 1.00000 0.99999 1.00001 1.00001
1.00000 0.99999 1.00001 1.00002 0.99997
1.00003 1.00000 1.00001 0.99998 0.99999
0.99999 1.00000 1.00000 0.99999 0.99999
0.99999 0.99999 0.99999 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 0.99999
1.00001 0.99998 1.00000 1.00000 1.00002
1.00001 0.99998 0.99999 1.00001 1.00002
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 149832 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 1.00001 0.99998 0.99999
1.00002 1.00002 0.99999 0.99999 1.00000
0.99998 0.99999 1.00001 1.00000 0.99999
0.99999 1.00002 0.99997 0.99999 0.99998
0.99998 1.00000 0.99999 1.00000 1.00002
0.99999 1.00001 1.00002 1.00003 0.99999
1.00000 1.00001 1.00004 0.99997 1.00000
1.00002 0.99997 1.00000 1.00001 0.99998
1.00002 1.00005 0.99999 1.00000 0.99996
1.00001 0.99999 1.00000 1.00000 0.99996
0.99999 1.00000 1.00001 1.00002 1.00002
0.99999 1.00003 1.00003 1.00000 1.00002
1.00000 1.00000 0.99999 1.00001 1.00001
1.00000 0.99999 1.00001 1.00002 0.99997
1.00003 1.00000 1.00001 0.99998 0.99999
0.99999 1.00000 1.00000 0.99999 0.99999
0.99999 0.99999 0.99999 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 0.99999
1.00001 0.99998 1.00000 1.00000 1.00002
1.00001 0.99998 0.99999 1.00001 1.00002
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5:-0.000-0.000 0.000 0.000
Vector 6:-0.000 0.000 0.000-0.000 0.000
Vector 7:-0.000 0.000-0.000 0.000-0.000-0.000
Vector 8:-0.000 0.000 0.000-0.000 0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000-0.000 0.000 0.000 0.000 0.000
Vector 10: 0.000-0.000-0.000-0.000-0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402121133072496986.eigenfacs
Openam> file on opening on unit 10:
2402121133072496986.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402121133072496986.atom
Openam> file on opening on unit 11:
2402121133072496986.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 = 1081
First residue number = 32
Last residue number = 1234
Number of atoms found = 8324
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-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: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.3484E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.7470E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6218E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7862E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.4464E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 14.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 18.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 20.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 21.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 23.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 24.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 24.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 25.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 25.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 26.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 26.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 26.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 27.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 27.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 28.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 28.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 28.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 29.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 29.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 29.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 29.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 30.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 31.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 31.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 31.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 32.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 32.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 33.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 33.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 33.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 33.60
Bfactors> 106 vectors, 24972 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 : 0.004348
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= 0.766 for 1081 C-alpha atoms.
Bfactors> = 0.904 +/- 0.78
Bfactors> = 207.912 +/- 154.40
Bfactors> Shiftng-fct= 207.007
Bfactors> Scaling-fct= 196.709
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402121133072496986 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=0
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=100
2402121133072496986.eigenfacs
2402121133072496986.atom
making animated gifs
11 models are in 2402121133072496986.7.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 2402121133072496986.7.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 2402121133072496986.7.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 2402121133072496986 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=0
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=100
2402121133072496986.eigenfacs
2402121133072496986.atom
making animated gifs
11 models are in 2402121133072496986.8.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 2402121133072496986.8.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 2402121133072496986.8.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 2402121133072496986 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=0
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=100
2402121133072496986.eigenfacs
2402121133072496986.atom
making animated gifs
11 models are in 2402121133072496986.9.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 2402121133072496986.9.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 2402121133072496986.9.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 2402121133072496986 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=0
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=100
2402121133072496986.eigenfacs
2402121133072496986.atom
making animated gifs
11 models are in 2402121133072496986.10.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 2402121133072496986.10.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 2402121133072496986.10.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 2402121133072496986 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=-20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=0
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=20
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=40
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=60
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=80
2402121133072496986.eigenfacs
2402121133072496986.atom
calculating perturbed structure for DQ=100
2402121133072496986.eigenfacs
2402121133072496986.atom
making animated gifs
11 models are in 2402121133072496986.11.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 2402121133072496986.11.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 2402121133072496986.11.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
2402121133072496986.10.pdb
2402121133072496986.11.pdb
2402121133072496986.7.pdb
2402121133072496986.8.pdb
2402121133072496986.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m40.516s
user 0m40.411s
sys 0m0.104s
../../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: 2402121133072496986.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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