*** PTEN_REPRES_TEST ***
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 = 2402082043421969462.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 2402082043421969462.atom to be opened.
Openam> File opened: 2402082043421969462.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 = 351
First residue number = 1
Last residue number = 351
Number of atoms found = 5778
Mean number per residue = 16.5
Pdbmat> Coordinate statistics:
= 36.426210 +/- 8.669386 From: 14.481000 To: 59.989000
= 89.755400 +/- 17.702531 From: 55.727000 To: 127.685000
= 34.528339 +/- 11.894010 From: 0.031000 To: 67.978000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.6448 % Filled.
Pdbmat> 3973620 non-zero elements.
Pdbmat> 437728 atom-atom interactions.
Pdbmat> Number per atom= 151.52 +/- 50.94
Maximum number = 237
Minimum number = 21
Pdbmat> Matrix trace = 8.754560E+06
Pdbmat> Larger element = 867.542
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
351 non-zero elements, NRBL set to 2
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 = 2402082043421969462.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2402082043421969462.atom to be opened.
Openam> file on opening on unit 11:
2402082043421969462.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5778 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 351 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 34
Blocpdb> 41 atoms in block 3
Block first atom: 63
Blocpdb> 34 atoms in block 4
Block first atom: 104
Blocpdb> 27 atoms in block 5
Block first atom: 138
Blocpdb> 38 atoms in block 6
Block first atom: 165
Blocpdb> 46 atoms in block 7
Block first atom: 203
Blocpdb> 45 atoms in block 8
Block first atom: 249
Blocpdb> 32 atoms in block 9
Block first atom: 294
Blocpdb> 19 atoms in block 10
Block first atom: 326
Blocpdb> 32 atoms in block 11
Block first atom: 345
Blocpdb> 31 atoms in block 12
Block first atom: 377
Blocpdb> 33 atoms in block 13
Block first atom: 408
Blocpdb> 40 atoms in block 14
Block first atom: 441
Blocpdb> 35 atoms in block 15
Block first atom: 481
Blocpdb> 33 atoms in block 16
Block first atom: 516
Blocpdb> 29 atoms in block 17
Block first atom: 549
Blocpdb> 24 atoms in block 18
Block first atom: 578
Blocpdb> 34 atoms in block 19
Block first atom: 602
Blocpdb> 25 atoms in block 20
Block first atom: 636
Blocpdb> 43 atoms in block 21
Block first atom: 661
Blocpdb> 22 atoms in block 22
Block first atom: 704
Blocpdb> 37 atoms in block 23
Block first atom: 726
Blocpdb> 38 atoms in block 24
Block first atom: 763
Blocpdb> 33 atoms in block 25
Block first atom: 801
Blocpdb> 24 atoms in block 26
Block first atom: 834
Blocpdb> 32 atoms in block 27
Block first atom: 858
Blocpdb> 44 atoms in block 28
Block first atom: 890
Blocpdb> 31 atoms in block 29
Block first atom: 934
Blocpdb> 33 atoms in block 30
Block first atom: 965
Blocpdb> 39 atoms in block 31
Block first atom: 998
Blocpdb> 31 atoms in block 32
Block first atom: 1037
Blocpdb> 43 atoms in block 33
Block first atom: 1068
Blocpdb> 40 atoms in block 34
Block first atom: 1111
Blocpdb> 33 atoms in block 35
Block first atom: 1151
Blocpdb> 21 atoms in block 36
Block first atom: 1184
Blocpdb> 39 atoms in block 37
Block first atom: 1205
Blocpdb> 38 atoms in block 38
Block first atom: 1244
Blocpdb> 26 atoms in block 39
Block first atom: 1282
Blocpdb> 32 atoms in block 40
Block first atom: 1308
Blocpdb> 34 atoms in block 41
Block first atom: 1340
Blocpdb> 35 atoms in block 42
Block first atom: 1374
Blocpdb> 26 atoms in block 43
Block first atom: 1409
Blocpdb> 38 atoms in block 44
Block first atom: 1435
Blocpdb> 34 atoms in block 45
Block first atom: 1473
Blocpdb> 27 atoms in block 46
Block first atom: 1507
Blocpdb> 31 atoms in block 47
Block first atom: 1534
Blocpdb> 28 atoms in block 48
Block first atom: 1565
Blocpdb> 36 atoms in block 49
Block first atom: 1593
Blocpdb> 34 atoms in block 50
Block first atom: 1629
Blocpdb> 41 atoms in block 51
Block first atom: 1663
Blocpdb> 34 atoms in block 52
Block first atom: 1704
Blocpdb> 26 atoms in block 53
Block first atom: 1738
Blocpdb> 31 atoms in block 54
Block first atom: 1764
Blocpdb> 29 atoms in block 55
Block first atom: 1795
Blocpdb> 43 atoms in block 56
Block first atom: 1824
Blocpdb> 26 atoms in block 57
Block first atom: 1867
Blocpdb> 24 atoms in block 58
Block first atom: 1893
Blocpdb> 31 atoms in block 59
Block first atom: 1917
Blocpdb> 26 atoms in block 60
Block first atom: 1948
Blocpdb> 29 atoms in block 61
Block first atom: 1974
Blocpdb> 28 atoms in block 62
Block first atom: 2003
Blocpdb> 32 atoms in block 63
Block first atom: 2031
Blocpdb> 29 atoms in block 64
Block first atom: 2063
Blocpdb> 31 atoms in block 65
Block first atom: 2092
Blocpdb> 21 atoms in block 66
Block first atom: 2123
Blocpdb> 33 atoms in block 67
Block first atom: 2144
Blocpdb> 30 atoms in block 68
Block first atom: 2177
Blocpdb> 31 atoms in block 69
Block first atom: 2207
Blocpdb> 38 atoms in block 70
Block first atom: 2238
Blocpdb> 41 atoms in block 71
Block first atom: 2276
Blocpdb> 29 atoms in block 72
Block first atom: 2317
Blocpdb> 39 atoms in block 73
Block first atom: 2346
Blocpdb> 32 atoms in block 74
Block first atom: 2385
Blocpdb> 32 atoms in block 75
Block first atom: 2417
Blocpdb> 29 atoms in block 76
Block first atom: 2449
Blocpdb> 32 atoms in block 77
Block first atom: 2478
Blocpdb> 28 atoms in block 78
Block first atom: 2510
Blocpdb> 31 atoms in block 79
Block first atom: 2538
Blocpdb> 38 atoms in block 80
Block first atom: 2569
Blocpdb> 36 atoms in block 81
Block first atom: 2607
Blocpdb> 44 atoms in block 82
Block first atom: 2643
Blocpdb> 23 atoms in block 83
Block first atom: 2687
Blocpdb> 33 atoms in block 84
Block first atom: 2710
Blocpdb> 25 atoms in block 85
Block first atom: 2743
Blocpdb> 41 atoms in block 86
Block first atom: 2768
Blocpdb> 45 atoms in block 87
Block first atom: 2809
Blocpdb> 37 atoms in block 88
Block first atom: 2854
Blocpdb> 42 atoms in block 89
Block first atom: 2891
Blocpdb> 32 atoms in block 90
Block first atom: 2933
Blocpdb> 38 atoms in block 91
Block first atom: 2965
Blocpdb> 36 atoms in block 92
Block first atom: 3003
Blocpdb> 36 atoms in block 93
Block first atom: 3039
Blocpdb> 33 atoms in block 94
Block first atom: 3075
Blocpdb> 38 atoms in block 95
Block first atom: 3108
Blocpdb> 26 atoms in block 96
Block first atom: 3146
Blocpdb> 38 atoms in block 97
Block first atom: 3172
Blocpdb> 37 atoms in block 98
Block first atom: 3210
Blocpdb> 39 atoms in block 99
Block first atom: 3247
Blocpdb> 37 atoms in block 100
Block first atom: 3286
Blocpdb> 29 atoms in block 101
Block first atom: 3323
Blocpdb> 33 atoms in block 102
Block first atom: 3352
Blocpdb> 37 atoms in block 103
Block first atom: 3385
Blocpdb> 18 atoms in block 104
Block first atom: 3422
Blocpdb> 21 atoms in block 105
Block first atom: 3440
Blocpdb> 25 atoms in block 106
Block first atom: 3461
Blocpdb> 31 atoms in block 107
Block first atom: 3486
Blocpdb> 36 atoms in block 108
Block first atom: 3517
Blocpdb> 27 atoms in block 109
Block first atom: 3553
Blocpdb> 36 atoms in block 110
Block first atom: 3580
Blocpdb> 38 atoms in block 111
Block first atom: 3616
Blocpdb> 41 atoms in block 112
Block first atom: 3654
Blocpdb> 32 atoms in block 113
Block first atom: 3695
Blocpdb> 25 atoms in block 114
Block first atom: 3727
Blocpdb> 18 atoms in block 115
Block first atom: 3752
Blocpdb> 28 atoms in block 116
Block first atom: 3770
Blocpdb> 48 atoms in block 117
Block first atom: 3798
Blocpdb> 27 atoms in block 118
Block first atom: 3846
Blocpdb> 42 atoms in block 119
Block first atom: 3873
Blocpdb> 38 atoms in block 120
Block first atom: 3915
Blocpdb> 35 atoms in block 121
Block first atom: 3953
Blocpdb> 34 atoms in block 122
Block first atom: 3988
Blocpdb> 31 atoms in block 123
Block first atom: 4022
Blocpdb> 33 atoms in block 124
Block first atom: 4053
Blocpdb> 27 atoms in block 125
Block first atom: 4086
Blocpdb> 19 atoms in block 126
Block first atom: 4113
Blocpdb> 41 atoms in block 127
Block first atom: 4132
Blocpdb> 31 atoms in block 128
Block first atom: 4173
Blocpdb> 40 atoms in block 129
Block first atom: 4204
Blocpdb> 39 atoms in block 130
Block first atom: 4244
Blocpdb> 31 atoms in block 131
Block first atom: 4283
Blocpdb> 39 atoms in block 132
Block first atom: 4314
Blocpdb> 41 atoms in block 133
Block first atom: 4353
Blocpdb> 34 atoms in block 134
Block first atom: 4394
Blocpdb> 39 atoms in block 135
Block first atom: 4428
Blocpdb> 37 atoms in block 136
Block first atom: 4467
Blocpdb> 44 atoms in block 137
Block first atom: 4504
Blocpdb> 30 atoms in block 138
Block first atom: 4548
Blocpdb> 34 atoms in block 139
Block first atom: 4578
Blocpdb> 39 atoms in block 140
Block first atom: 4612
Blocpdb> 21 atoms in block 141
Block first atom: 4651
Blocpdb> 29 atoms in block 142
Block first atom: 4672
Blocpdb> 29 atoms in block 143
Block first atom: 4701
Blocpdb> 26 atoms in block 144
Block first atom: 4730
Blocpdb> 38 atoms in block 145
Block first atom: 4756
Blocpdb> 29 atoms in block 146
Block first atom: 4794
Blocpdb> 18 atoms in block 147
Block first atom: 4823
Blocpdb> 30 atoms in block 148
Block first atom: 4841
Blocpdb> 29 atoms in block 149
Block first atom: 4871
Blocpdb> 34 atoms in block 150
Block first atom: 4900
Blocpdb> 23 atoms in block 151
Block first atom: 4934
Blocpdb> 30 atoms in block 152
Block first atom: 4957
Blocpdb> 30 atoms in block 153
Block first atom: 4987
Blocpdb> 39 atoms in block 154
Block first atom: 5017
Blocpdb> 22 atoms in block 155
Block first atom: 5056
Blocpdb> 26 atoms in block 156
Block first atom: 5078
Blocpdb> 37 atoms in block 157
Block first atom: 5104
Blocpdb> 40 atoms in block 158
Block first atom: 5141
Blocpdb> 35 atoms in block 159
Block first atom: 5181
Blocpdb> 33 atoms in block 160
Block first atom: 5216
Blocpdb> 36 atoms in block 161
Block first atom: 5249
Blocpdb> 26 atoms in block 162
Block first atom: 5285
Blocpdb> 31 atoms in block 163
Block first atom: 5311
Blocpdb> 32 atoms in block 164
Block first atom: 5342
Blocpdb> 36 atoms in block 165
Block first atom: 5374
Blocpdb> 34 atoms in block 166
Block first atom: 5410
Blocpdb> 24 atoms in block 167
Block first atom: 5444
Blocpdb> 45 atoms in block 168
Block first atom: 5468
Blocpdb> 31 atoms in block 169
Block first atom: 5513
Blocpdb> 28 atoms in block 170
Block first atom: 5544
Blocpdb> 42 atoms in block 171
Block first atom: 5572
Blocpdb> 38 atoms in block 172
Block first atom: 5614
Blocpdb> 40 atoms in block 173
Block first atom: 5652
Blocpdb> 34 atoms in block 174
Block first atom: 5692
Blocpdb> 36 atoms in block 175
Block first atom: 5726
Blocpdb> 17 atoms in block 176
Block first atom: 5761
Blocpdb> 176 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 17 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> 3973796 matrix lines read.
Prepmat> Matrix order = 17334
Prepmat> Matrix trace = 8754560.0000
Prepmat> Last element read: 17334 17334 254.5404
Prepmat> 15577 lines saved.
Prepmat> 13476 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: 5778
RTB> Total mass = 5778.0000
RTB> Number of atoms found in matrix: 5778
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 441064.2264
RTB> 72960 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 = 1056
Diagstd> Nb of non-zero elements: 72960
Diagstd> Projected matrix trace = 441064.2264
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1056 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 441064.2264
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 0.8055513 1.7066852 1.9754364 2.1460881
2.7097591 4.0909187 5.1913226 5.3821217 6.7941241
7.2416787 7.9509037 9.2648516 10.2349505 10.5768076
12.3115989 13.0519837 14.7189445 16.7532460 18.6435755
20.0318353 20.9789662 23.1822677 23.6184627 24.4404152
24.8328336 26.2303734 26.4819201 28.4467799 29.1454696
30.5869344 31.3730213 34.3772127 34.6200844 36.2363668
36.5389711 36.7049240 38.1434960 38.5353843 39.0161323
40.5009926 41.1584572 42.6434587 43.1517491 43.4542767
44.1432356 44.9216723 45.3156355 47.2209598 48.5480704
49.9784232 50.3654544 52.0540243 53.2585242 53.8306565
55.9156288 57.0404146 58.1153035 59.2961476 60.2050350
61.7621706 62.6751885 63.2127939 63.7544656 65.2773272
65.5986100 66.8039416 67.3181926 68.2644897 69.8780724
69.9029856 70.7570446 71.3168865 73.2592749 73.8647468
74.7701572 75.9214919 76.8771413 79.3298204 80.2299967
82.0347183 82.5690393 84.1720010 85.2717581 86.6911980
87.5956513 87.6860320 88.4161457 89.0345355 90.0706361
91.7720977 93.5871651 94.7503135 95.0941969 95.8017844
97.5897994 97.6991717 99.6203460 100.2815302 100.8559846
101.1759307
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034313 0.0034332 0.0034337 0.0034348 0.0034362
0.0034382 97.4634727 141.8639324 152.6253958 159.0812708
178.7559972 219.6371029 247.4197077 251.9254458 283.0492563
292.2233434 306.1988298 330.5327637 347.4066716 353.1608734
381.0241562 392.3137602 416.6137639 444.4723639 468.8780299
486.0216891 497.3788592 522.8453361 527.7413136 536.8458124
541.1384823 556.1571396 558.8175228 579.1777059 586.2472366
600.5694774 608.2378640 636.6937857 638.9389170 653.6836215
656.4073529 657.8963015 670.6648233 674.1012422 678.2930820
691.0796645 696.6663338 709.1228687 713.3365589 715.8327160
721.4850922 727.8187472 731.0032667 746.2127842 756.6260101
767.6911878 770.6579425 783.4701158 792.4827988 796.7280699
812.0109522 820.1373997 827.8288077 836.1968356 842.5810492
853.4076973 859.6924338 863.3716284 867.0628625 877.3572358
879.5136797 887.5571442 890.9667646 897.2071056 907.7489150
907.9107178 913.4402042 917.0467325 929.4511909 933.2841433
938.9866706 946.1884603 952.1248347 967.1938265 972.6658485
983.5447529 986.7426408 996.2747100 1002.7620484 1011.0736273
1016.3342313 1016.8584200 1021.0830563 1024.6476044 1030.5923046
1040.2808641 1050.5178262 1057.0258493 1058.9422783 1062.8747240
1072.7474548 1073.3484193 1083.8503026 1087.4411329 1090.5513433
1092.2797550
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5778
Rtb_to_modes> Number of blocs = 176
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: 9.9847E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0025E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.8056
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.707
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.975
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.146
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.710
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.091
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.191
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.382
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.794
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.242
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.951
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.265
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.23
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 10.58
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.31
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.05
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 14.72
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.75
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.64
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.03
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 20.98
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.18
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.44
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 24.83
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.23
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.48
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 28.45
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.59
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.37
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 34.38
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 34.62
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 36.24
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 36.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 36.70
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 38.14
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 38.54
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 39.02
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 40.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 41.16
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 42.64
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 43.15
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 44.14
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 44.92
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 45.32
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 47.22
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 48.55
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 49.98
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 50.37
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 52.05
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 53.26
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 53.83
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 55.92
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 57.04
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 58.12
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 59.30
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 60.21
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 61.76
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 62.68
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 63.21
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 63.75
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 65.28
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 65.60
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 66.80
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 67.32
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 68.26
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 69.88
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 69.90
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 70.76
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 71.32
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 73.26
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 73.86
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 74.77
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 75.92
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 76.88
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 79.33
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 80.23
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 82.03
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 82.57
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 84.17
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 85.27
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 86.69
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 87.60
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 87.69
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 88.42
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 89.03
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 90.07
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 91.77
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 93.59
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 94.75
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 95.09
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 95.80
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 97.59
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 97.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 99.62
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 100.3
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 100.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 101.2
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99997 1.00001 1.00001
1.00000 0.99997 0.99999 1.00000 1.00000
0.99997 1.00003 1.00001 1.00003 1.00001
0.99995 0.99997 1.00000 1.00001 1.00001
1.00001 1.00004 0.99998 0.99998 0.99999
0.99999 0.99998 0.99998 0.99999 1.00002
1.00000 0.99999 1.00000 1.00002 0.99997
1.00006 1.00001 1.00001 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 0.99998
1.00001 1.00000 1.00001 0.99997 0.99999
0.99998 1.00000 0.99996 0.99998 0.99998
1.00001 1.00001 0.99998 1.00002 1.00001
0.99999 1.00001 0.99999 0.99999 1.00000
1.00001 0.99997 1.00001 1.00002 1.00000
1.00000 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 0.99998 0.99998 1.00000
1.00000 1.00000 1.00000 1.00002 1.00000
0.99999 0.99999 0.99998 1.00003 1.00000
1.00001 1.00000 1.00001 0.99999 1.00003
1.00002 1.00003 0.99998 0.99998 1.00002
0.99999 1.00001 1.00000 1.00001 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 104004 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99997 1.00001 1.00001
1.00000 0.99997 0.99999 1.00000 1.00000
0.99997 1.00003 1.00001 1.00003 1.00001
0.99995 0.99997 1.00000 1.00001 1.00001
1.00001 1.00004 0.99998 0.99998 0.99999
0.99999 0.99998 0.99998 0.99999 1.00002
1.00000 0.99999 1.00000 1.00002 0.99997
1.00006 1.00001 1.00001 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 0.99998
1.00001 1.00000 1.00001 0.99997 0.99999
0.99998 1.00000 0.99996 0.99998 0.99998
1.00001 1.00001 0.99998 1.00002 1.00001
0.99999 1.00001 0.99999 0.99999 1.00000
1.00001 0.99997 1.00001 1.00002 1.00000
1.00000 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 0.99998 0.99998 1.00000
1.00000 1.00000 1.00000 1.00002 1.00000
0.99999 0.99999 0.99998 1.00003 1.00000
1.00001 1.00000 1.00001 0.99999 1.00003
1.00002 1.00003 0.99998 0.99998 1.00002
0.99999 1.00001 1.00000 1.00001 1.00000
0.99998
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6:-0.000 0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000 0.000 0.000-0.000-0.000 0.000
Vector 9: 0.000-0.000-0.000 0.000-0.000 0.000-0.000 0.000
Vector 10: 0.000 0.000-0.000-0.000 0.000 0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402082043421969462.eigenfacs
Openam> file on opening on unit 10:
2402082043421969462.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402082043421969462.atom
Openam> file on opening on unit 11:
2402082043421969462.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 = 351
First residue number = 1
Last residue number = 351
Number of atoms found = 5778
Mean number per residue = 16.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9847E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 10.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 14.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 20.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 24.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 28.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 34.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 34.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 36.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 36.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 36.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 38.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 39.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 40.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 41.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 42.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 43.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 44.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 44.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 45.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 47.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 48.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 49.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 50.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 52.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 53.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 53.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 55.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 57.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 58.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 59.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 60.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 61.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 62.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 63.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 63.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 65.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 65.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 67.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 68.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 69.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 69.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 70.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 71.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 73.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 73.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 74.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 75.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 76.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 79.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 80.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 82.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 82.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 84.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 85.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 86.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 87.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 87.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 88.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 89.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 90.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 91.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 93.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 94.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 95.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 95.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 97.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 97.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 99.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Bfactors> 106 vectors, 17334 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 : 0.805600
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.014 +/- 0.04
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.014
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402082043421969462 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=0
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=100
2402082043421969462.eigenfacs
2402082043421969462.atom
making animated gifs
11 models are in 2402082043421969462.7.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 2402082043421969462.7.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 2402082043421969462.7.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 2402082043421969462 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=0
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=100
2402082043421969462.eigenfacs
2402082043421969462.atom
making animated gifs
11 models are in 2402082043421969462.8.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 2402082043421969462.8.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 2402082043421969462.8.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 2402082043421969462 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=0
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=100
2402082043421969462.eigenfacs
2402082043421969462.atom
making animated gifs
11 models are in 2402082043421969462.9.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 2402082043421969462.9.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 2402082043421969462.9.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 2402082043421969462 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=0
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=100
2402082043421969462.eigenfacs
2402082043421969462.atom
making animated gifs
11 models are in 2402082043421969462.10.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 2402082043421969462.10.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 2402082043421969462.10.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 2402082043421969462 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=-20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=0
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=20
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=40
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=60
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=80
2402082043421969462.eigenfacs
2402082043421969462.atom
calculating perturbed structure for DQ=100
2402082043421969462.eigenfacs
2402082043421969462.atom
making animated gifs
11 models are in 2402082043421969462.11.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 2402082043421969462.11.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 2402082043421969462.11.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
2402082043421969462.10.pdb
2402082043421969462.11.pdb
2402082043421969462.7.pdb
2402082043421969462.8.pdb
2402082043421969462.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.196s
user 0m29.007s
sys 0m0.188s
../../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: 2402082043421969462.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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