*** rec.pdb ***
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 = 2401311355351098936.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 2401311355351098936.atom to be opened.
Openam> File opened: 2401311355351098936.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 = 968
First residue number = 1
Last residue number = 627
Number of atoms found = 9161
Mean number per residue = 9.5
Pdbmat> Coordinate statistics:
= -3.072717 +/- 19.096200 From: -45.070000 To: 44.655000
= -17.598453 +/- 21.995329 From: -72.507000 To: 23.121000
= 19.758121 +/- 29.279715 From: -55.565000 To: 71.327000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.0887 % Filled.
Pdbmat> 4111822 non-zero elements.
Pdbmat> 450844 atom-atom interactions.
Pdbmat> Number per atom= 98.43 +/- 27.87
Maximum number = 164
Minimum number = 10
Pdbmat> Matrix trace = 9.016880E+06
Pdbmat> Larger element = 639.728
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
968 non-zero elements, NRBL set to 5
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401311355351098936.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401311355351098936.atom to be opened.
Openam> file on opening on unit 11:
2401311355351098936.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9161 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 968 residues.
Blocpdb> 43 atoms in block 1
Block first atom: 1
Blocpdb> 62 atoms in block 2
Block first atom: 44
Blocpdb> 54 atoms in block 3
Block first atom: 106
Blocpdb> 43 atoms in block 4
Block first atom: 160
Blocpdb> 40 atoms in block 5
Block first atom: 203
Blocpdb> 54 atoms in block 6
Block first atom: 243
Blocpdb> 42 atoms in block 7
Block first atom: 297
Blocpdb> 59 atoms in block 8
Block first atom: 339
Blocpdb> 67 atoms in block 9
Block first atom: 398
Blocpdb> 41 atoms in block 10
Block first atom: 465
Blocpdb> 50 atoms in block 11
Block first atom: 506
Blocpdb> 44 atoms in block 12
Block first atom: 556
Blocpdb> 33 atoms in block 13
Block first atom: 600
Blocpdb> 47 atoms in block 14
Block first atom: 633
Blocpdb> 46 atoms in block 15
Block first atom: 680
Blocpdb> 34 atoms in block 16
Block first atom: 726
Blocpdb> 48 atoms in block 17
Block first atom: 760
Blocpdb> 38 atoms in block 18
Block first atom: 808
Blocpdb> 36 atoms in block 19
Block first atom: 846
Blocpdb> 50 atoms in block 20
Block first atom: 882
Blocpdb> 33 atoms in block 21
Block first atom: 932
Blocpdb> 43 atoms in block 22
Block first atom: 965
Blocpdb> 56 atoms in block 23
Block first atom: 1008
Blocpdb> 44 atoms in block 24
Block first atom: 1064
Blocpdb> 37 atoms in block 25
Block first atom: 1108
Blocpdb> 47 atoms in block 26
Block first atom: 1145
Blocpdb> 47 atoms in block 27
Block first atom: 1192
Blocpdb> 56 atoms in block 28
Block first atom: 1239
Blocpdb> 33 atoms in block 29
Block first atom: 1295
Blocpdb> 37 atoms in block 30
Block first atom: 1328
Blocpdb> 52 atoms in block 31
Block first atom: 1365
Blocpdb> 54 atoms in block 32
Block first atom: 1417
Blocpdb> 33 atoms in block 33
Block first atom: 1471
Blocpdb> 46 atoms in block 34
Block first atom: 1504
Blocpdb> 44 atoms in block 35
Block first atom: 1550
Blocpdb> 59 atoms in block 36
Block first atom: 1594
Blocpdb> 32 atoms in block 37
Block first atom: 1653
Blocpdb> 44 atoms in block 38
Block first atom: 1685
Blocpdb> 49 atoms in block 39
Block first atom: 1729
Blocpdb> 56 atoms in block 40
Block first atom: 1778
Blocpdb> 33 atoms in block 41
Block first atom: 1834
Blocpdb> 43 atoms in block 42
Block first atom: 1867
Blocpdb> 59 atoms in block 43
Block first atom: 1910
Blocpdb> 48 atoms in block 44
Block first atom: 1969
Blocpdb> 33 atoms in block 45
Block first atom: 2017
Blocpdb> 50 atoms in block 46
Block first atom: 2050
Blocpdb> 48 atoms in block 47
Block first atom: 2100
Blocpdb> 55 atoms in block 48
Block first atom: 2148
Blocpdb> 34 atoms in block 49
Block first atom: 2203
Blocpdb> 40 atoms in block 50
Block first atom: 2237
Blocpdb> 54 atoms in block 51
Block first atom: 2277
Blocpdb> 60 atoms in block 52
Block first atom: 2331
Blocpdb> 35 atoms in block 53
Block first atom: 2391
Blocpdb> 38 atoms in block 54
Block first atom: 2426
Blocpdb> 53 atoms in block 55
Block first atom: 2464
Blocpdb> 50 atoms in block 56
Block first atom: 2517
Blocpdb> 42 atoms in block 57
Block first atom: 2567
Blocpdb> 32 atoms in block 58
Block first atom: 2609
Blocpdb> 52 atoms in block 59
Block first atom: 2641
Blocpdb> 49 atoms in block 60
Block first atom: 2693
Blocpdb> 52 atoms in block 61
Block first atom: 2742
Blocpdb> 37 atoms in block 62
Block first atom: 2794
Blocpdb> 46 atoms in block 63
Block first atom: 2831
Blocpdb> 44 atoms in block 64
Block first atom: 2877
Blocpdb> 50 atoms in block 65
Block first atom: 2921
Blocpdb> 29 atoms in block 66
Block first atom: 2971
Blocpdb> 54 atoms in block 67
Block first atom: 3000
Blocpdb> 43 atoms in block 68
Block first atom: 3054
Blocpdb> 34 atoms in block 69
Block first atom: 3097
Blocpdb> 33 atoms in block 70
Block first atom: 3131
Blocpdb> 52 atoms in block 71
Block first atom: 3164
Blocpdb> 59 atoms in block 72
Block first atom: 3216
Blocpdb> 44 atoms in block 73
Block first atom: 3275
Blocpdb> 15 atoms in block 74
Block first atom: 3319
Blocpdb> 42 atoms in block 75
Block first atom: 3334
Blocpdb> 43 atoms in block 76
Block first atom: 3376
Blocpdb> 51 atoms in block 77
Block first atom: 3419
Blocpdb> 56 atoms in block 78
Block first atom: 3470
Blocpdb> 49 atoms in block 79
Block first atom: 3526
Blocpdb> 45 atoms in block 80
Block first atom: 3575
Blocpdb> 51 atoms in block 81
Block first atom: 3620
Blocpdb> 47 atoms in block 82
Block first atom: 3671
Blocpdb> 51 atoms in block 83
Block first atom: 3718
Blocpdb> 54 atoms in block 84
Block first atom: 3769
Blocpdb> 50 atoms in block 85
Block first atom: 3823
Blocpdb> 43 atoms in block 86
Block first atom: 3873
Blocpdb> 55 atoms in block 87
Block first atom: 3916
Blocpdb> 42 atoms in block 88
Block first atom: 3971
Blocpdb> 49 atoms in block 89
Block first atom: 4013
Blocpdb> 46 atoms in block 90
Block first atom: 4062
Blocpdb> 41 atoms in block 91
Block first atom: 4108
Blocpdb> 47 atoms in block 92
Block first atom: 4149
Blocpdb> 35 atoms in block 93
Block first atom: 4196
Blocpdb> 42 atoms in block 94
Block first atom: 4231
Blocpdb> 51 atoms in block 95
Block first atom: 4273
Blocpdb> 41 atoms in block 96
Block first atom: 4324
Blocpdb> 43 atoms in block 97
Block first atom: 4365
Blocpdb> 49 atoms in block 98
Block first atom: 4408
Blocpdb> 48 atoms in block 99
Block first atom: 4457
Blocpdb> 52 atoms in block 100
Block first atom: 4505
Blocpdb> 46 atoms in block 101
Block first atom: 4557
Blocpdb> 54 atoms in block 102
Block first atom: 4603
Blocpdb> 52 atoms in block 103
Block first atom: 4657
Blocpdb> 48 atoms in block 104
Block first atom: 4709
Blocpdb> 49 atoms in block 105
Block first atom: 4757
Blocpdb> 49 atoms in block 106
Block first atom: 4806
Blocpdb> 52 atoms in block 107
Block first atom: 4855
Blocpdb> 51 atoms in block 108
Block first atom: 4907
Blocpdb> 50 atoms in block 109
Block first atom: 4958
Blocpdb> 45 atoms in block 110
Block first atom: 5008
Blocpdb> 43 atoms in block 111
Block first atom: 5053
Blocpdb> 47 atoms in block 112
Block first atom: 5096
Blocpdb> 45 atoms in block 113
Block first atom: 5143
Blocpdb> 50 atoms in block 114
Block first atom: 5188
Blocpdb> 60 atoms in block 115
Block first atom: 5238
Blocpdb> 57 atoms in block 116
Block first atom: 5298
Blocpdb> 49 atoms in block 117
Block first atom: 5355
Blocpdb> 46 atoms in block 118
Block first atom: 5404
Blocpdb> 41 atoms in block 119
Block first atom: 5450
Blocpdb> 44 atoms in block 120
Block first atom: 5491
Blocpdb> 48 atoms in block 121
Block first atom: 5535
Blocpdb> 60 atoms in block 122
Block first atom: 5583
Blocpdb> 48 atoms in block 123
Block first atom: 5643
Blocpdb> 48 atoms in block 124
Block first atom: 5691
Blocpdb> 40 atoms in block 125
Block first atom: 5739
Blocpdb> 48 atoms in block 126
Block first atom: 5779
Blocpdb> 54 atoms in block 127
Block first atom: 5827
Blocpdb> 60 atoms in block 128
Block first atom: 5881
Blocpdb> 45 atoms in block 129
Block first atom: 5941
Blocpdb> 48 atoms in block 130
Block first atom: 5986
Blocpdb> 45 atoms in block 131
Block first atom: 6034
Blocpdb> 45 atoms in block 132
Block first atom: 6079
Blocpdb> 44 atoms in block 133
Block first atom: 6124
Blocpdb> 59 atoms in block 134
Block first atom: 6168
Blocpdb> 50 atoms in block 135
Block first atom: 6227
Blocpdb> 59 atoms in block 136
Block first atom: 6277
Blocpdb> 48 atoms in block 137
Block first atom: 6336
Blocpdb> 48 atoms in block 138
Block first atom: 6384
Blocpdb> 53 atoms in block 139
Block first atom: 6432
Blocpdb> 56 atoms in block 140
Block first atom: 6485
Blocpdb> 49 atoms in block 141
Block first atom: 6541
Blocpdb> 40 atoms in block 142
Block first atom: 6590
Blocpdb> 47 atoms in block 143
Block first atom: 6630
Blocpdb> 43 atoms in block 144
Block first atom: 6677
Blocpdb> 47 atoms in block 145
Block first atom: 6720
Blocpdb> 50 atoms in block 146
Block first atom: 6767
Blocpdb> 44 atoms in block 147
Block first atom: 6817
Blocpdb> 49 atoms in block 148
Block first atom: 6861
Blocpdb> 40 atoms in block 149
Block first atom: 6910
Blocpdb> 54 atoms in block 150
Block first atom: 6950
Blocpdb> 44 atoms in block 151
Block first atom: 7004
Blocpdb> 43 atoms in block 152
Block first atom: 7048
Blocpdb> 46 atoms in block 153
Block first atom: 7091
Blocpdb> 53 atoms in block 154
Block first atom: 7137
Blocpdb> 54 atoms in block 155
Block first atom: 7190
Blocpdb> 53 atoms in block 156
Block first atom: 7244
Blocpdb> 47 atoms in block 157
Block first atom: 7297
Blocpdb> 46 atoms in block 158
Block first atom: 7344
Blocpdb> 60 atoms in block 159
Block first atom: 7390
Blocpdb> 47 atoms in block 160
Block first atom: 7450
Blocpdb> 55 atoms in block 161
Block first atom: 7497
Blocpdb> 43 atoms in block 162
Block first atom: 7552
Blocpdb> 45 atoms in block 163
Block first atom: 7595
Blocpdb> 44 atoms in block 164
Block first atom: 7640
Blocpdb> 44 atoms in block 165
Block first atom: 7684
Blocpdb> 53 atoms in block 166
Block first atom: 7728
Blocpdb> 46 atoms in block 167
Block first atom: 7781
Blocpdb> 57 atoms in block 168
Block first atom: 7827
Blocpdb> 50 atoms in block 169
Block first atom: 7884
Blocpdb> 45 atoms in block 170
Block first atom: 7934
Blocpdb> 52 atoms in block 171
Block first atom: 7979
Blocpdb> 42 atoms in block 172
Block first atom: 8031
Blocpdb> 44 atoms in block 173
Block first atom: 8073
Blocpdb> 49 atoms in block 174
Block first atom: 8117
Blocpdb> 51 atoms in block 175
Block first atom: 8166
Blocpdb> 50 atoms in block 176
Block first atom: 8217
Blocpdb> 55 atoms in block 177
Block first atom: 8267
Blocpdb> 44 atoms in block 178
Block first atom: 8322
Blocpdb> 52 atoms in block 179
Block first atom: 8366
Blocpdb> 49 atoms in block 180
Block first atom: 8418
Blocpdb> 52 atoms in block 181
Block first atom: 8467
Blocpdb> 55 atoms in block 182
Block first atom: 8519
Blocpdb> 44 atoms in block 183
Block first atom: 8574
Blocpdb> 47 atoms in block 184
Block first atom: 8618
Blocpdb> 53 atoms in block 185
Block first atom: 8665
Blocpdb> 39 atoms in block 186
Block first atom: 8718
Blocpdb> 53 atoms in block 187
Block first atom: 8757
Blocpdb> 59 atoms in block 188
Block first atom: 8810
Blocpdb> 59 atoms in block 189
Block first atom: 8869
Blocpdb> 53 atoms in block 190
Block first atom: 8928
Blocpdb> 41 atoms in block 191
Block first atom: 8981
Blocpdb> 49 atoms in block 192
Block first atom: 9022
Blocpdb> 38 atoms in block 193
Block first atom: 9071
Blocpdb> 46 atoms in block 194
Block first atom: 9109
Blocpdb> 7 atoms in block 195
Block first atom: 9154
Blocpdb> 195 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 7 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> 4112017 matrix lines read.
Prepmat> Matrix order = 27483
Prepmat> Matrix trace = 9016880.0000
Prepmat> Last element read: 27483 27483 364.7283
Prepmat> 19111 lines saved.
Prepmat> 17542 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: 9161
RTB> Total mass = 9161.0000
RTB> Number of atoms found in matrix: 9161
RTB> Number of blocks = 195
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 266437.7128
RTB> 53523 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1170
Diagstd> Nb of non-zero elements: 53523
Diagstd> Projected matrix trace = 266437.7128
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1170 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 266437.7128
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 0.0116464 0.0375534 0.0526845 0.0619555
0.1712856 0.2461678 0.3272281 0.4840439 0.5801906
0.7972295 0.8714017 0.9978110 1.0834507 1.1555823
1.4777114 1.6282048 1.9878947 2.4529876 2.8136048
2.8553662 3.4533829 3.4979532 3.6722348 4.1943128
4.2850035 4.4643702 4.8143108 5.1616090 5.3684662
5.6644982 6.2926101 6.4952837 6.7636231 6.9350173
7.2849554 8.1237843 8.6222076 9.0384888 9.2654678
9.6103958 10.2052105 10.3884492 11.1193180 11.5712118
11.8548197 12.6038574 12.8296747 13.1546044 13.6259868
14.0794449 14.4512146 14.5549863 14.9594219 15.4692736
16.1761487 16.4214428 17.0077610 17.1662590 18.2104455
18.7325566 19.1259479 19.2184540 20.0983511 20.1881357
20.6009552 21.0622479 21.4546235 21.9970956 22.0762621
22.6738357 23.9206683 24.2765346 25.0149840 25.4819848
25.8971950 26.2133544 26.4647093 27.0752163 27.9976253
28.2997619 28.6625384 28.8753827 29.4755806 29.9024447
30.9427523 31.3260039 31.7200321 32.2180824 32.8901760
33.1848317 33.2114076 34.5776165 35.5632356 35.7076694
36.0632555 36.6316720 37.1512527 37.6896595 38.4881405
38.7328527
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034305 0.0034318 0.0034334 0.0034340 0.0034346
0.0034354 11.7189917 21.0435823 24.9250772 27.0293276
44.9423383 53.8779343 62.1184488 75.5505535 82.7143026
96.9587371 101.3688383 108.4724425 113.0315965 116.7335554
132.0049129 138.5638032 153.1059146 170.0759705 182.1490142
183.4958238 201.7983682 203.0964239 208.0944505 222.3953417
224.7868338 229.4433006 238.2661463 246.7106116 251.6056513
258.4496826 272.4022509 276.7542779 282.4131930 285.9690643
293.0952159 309.5098477 318.8632870 326.4699353 330.5437552
336.6401552 346.9015687 350.0020924 362.1048612 369.3896325
373.8890587 385.5200961 388.9583533 393.8530161 400.8475766
407.4628768 412.8073828 414.2868811 420.0032838 427.1006575
436.7499321 440.0488963 447.8358452 449.9177327 463.3995054
469.9956157 474.9050241 476.0521209 486.8279393 487.9141215
492.8774621 498.3651216 502.9858050 509.3050136 510.2206730
517.0800455 531.1068886 535.0429260 543.1194986 548.1657616
552.6136954 555.9766857 558.6359031 565.0426724 574.5871093
577.6791212 581.3699832 583.5245800 589.5579020 593.8115329
604.0525900 607.7819232 611.5924129 616.3751546 622.7709973
625.5544095 625.8048458 638.5469087 647.5837077 648.8973982
652.1203376 657.2394919 661.8841956 666.6630540 673.6878963
675.8261971
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9161
Rtb_to_modes> Number of blocs = 195
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9797E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9873E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.1646E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.7553E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.2684E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.1956E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1713
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2462
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.3272
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.4840
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.5802
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.7972
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.8714
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.9978
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.083
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.156
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.478
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.628
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.988
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.453
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.814
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.855
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.453
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.498
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.672
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.194
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.285
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.464
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.814
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.162
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.368
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.664
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.293
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.495
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.764
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.935
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.285
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.124
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.622
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.038
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.265
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.610
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.21
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 10.39
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 11.12
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.57
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 11.85
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 12.60
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 12.83
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 13.63
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 14.08
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 14.45
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 14.55
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 14.96
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 15.47
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 16.18
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 17.01
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 17.17
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 18.21
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 19.13
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 19.22
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 20.10
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 20.60
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 21.06
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 22.00
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 22.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 23.92
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 24.28
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 25.01
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 25.48
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 25.90
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 26.21
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 26.46
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 28.00
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 28.66
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 28.88
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 29.48
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 29.90
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 30.94
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 31.33
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 31.72
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 32.22
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 32.89
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 33.18
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 33.21
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 35.56
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 35.71
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 36.06
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 36.63
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 37.15
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 37.69
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 38.49
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 38.73
Rtb_to_modes> 106 vectors, with 1170 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 0.99998 1.00003 1.00000
0.99998 1.00001 1.00001 0.99999 1.00001
1.00002 0.99999 1.00001 1.00001 0.99999
1.00002 1.00002 1.00000 1.00000 0.99999
1.00000 1.00000 0.99998 1.00003 0.99998
0.99998 1.00000 0.99997 1.00003 0.99997
0.99999 1.00003 1.00000 0.99999 1.00001
0.99996 1.00000 1.00002 0.99999 1.00001
0.99999 0.99999 1.00000 0.99998 1.00000
1.00001 1.00001 1.00001 0.99999 0.99999
1.00000 1.00001 0.99999 1.00001 1.00001
1.00001 0.99999 1.00001 0.99998 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 1.00002
0.99999 0.99999 0.99999 1.00003 1.00000
1.00001 0.99999 1.00002 1.00001 1.00000
1.00003 1.00000 1.00000 0.99999 1.00003
0.99998 0.99998 0.99999 1.00000 0.99997
0.99998 0.99998 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 1.00001 0.99997
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 164898 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 0.99998 1.00003 1.00000
0.99998 1.00001 1.00001 0.99999 1.00001
1.00002 0.99999 1.00001 1.00001 0.99999
1.00002 1.00002 1.00000 1.00000 0.99999
1.00000 1.00000 0.99998 1.00003 0.99998
0.99998 1.00000 0.99997 1.00003 0.99997
0.99999 1.00003 1.00000 0.99999 1.00001
0.99996 1.00000 1.00002 0.99999 1.00001
0.99999 0.99999 1.00000 0.99998 1.00000
1.00001 1.00001 1.00001 0.99999 0.99999
1.00000 1.00001 0.99999 1.00001 1.00001
1.00001 0.99999 1.00001 0.99998 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 1.00002
0.99999 0.99999 0.99999 1.00003 1.00000
1.00001 0.99999 1.00002 1.00001 1.00000
1.00003 1.00000 1.00000 0.99999 1.00003
0.99998 0.99998 0.99999 1.00000 0.99997
0.99998 0.99998 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 1.00001 0.99997
1.00001
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> 2401311355351098936.eigenfacs
Openam> file on opening on unit 10:
2401311355351098936.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401311355351098936.atom
Openam> file on opening on unit 11:
2401311355351098936.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 = 968
First residue number = 1
Last residue number = 627
Number of atoms found = 9161
Mean number per residue = 9.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9797E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9873E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1646E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7553E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.2684E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1956E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 11.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 12.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 14.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 15.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 17.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 17.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 22.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
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: 24.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 25.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 25.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 25.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 26.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 26.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 28.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 28.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 28.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 29.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 29.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 30.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 31.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 31.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 32.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 32.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 33.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 33.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 35.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 35.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 36.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 36.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 37.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 37.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 38.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 38.73
Bfactors> 106 vectors, 27483 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 : 0.011646
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> = 0.310 +/- 0.47
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.310
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 2401311355351098936 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=0
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=100
2401311355351098936.eigenfacs
2401311355351098936.atom
making animated gifs
11 models are in 2401311355351098936.7.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 2401311355351098936.7.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 2401311355351098936.7.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 2401311355351098936 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=0
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=100
2401311355351098936.eigenfacs
2401311355351098936.atom
making animated gifs
11 models are in 2401311355351098936.8.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 2401311355351098936.8.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 2401311355351098936.8.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 2401311355351098936 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=0
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=100
2401311355351098936.eigenfacs
2401311355351098936.atom
making animated gifs
11 models are in 2401311355351098936.9.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 2401311355351098936.9.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 2401311355351098936.9.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 2401311355351098936 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=0
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=100
2401311355351098936.eigenfacs
2401311355351098936.atom
making animated gifs
11 models are in 2401311355351098936.10.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 2401311355351098936.10.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 2401311355351098936.10.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 2401311355351098936 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=-20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=0
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=20
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=40
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=60
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=80
2401311355351098936.eigenfacs
2401311355351098936.atom
calculating perturbed structure for DQ=100
2401311355351098936.eigenfacs
2401311355351098936.atom
making animated gifs
11 models are in 2401311355351098936.11.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 2401311355351098936.11.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 2401311355351098936.11.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
2401311355351098936.10.pdb
2401311355351098936.11.pdb
2401311355351098936.7.pdb
2401311355351098936.8.pdb
2401311355351098936.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m48.864s
user 0m48.701s
sys 0m0.148s
../../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: 2401311355351098936.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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