*** 17-DEC-23 XXXX ***
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 = 240110081534481783.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 240110081534481783.atom to be opened.
Openam> File opened: 240110081534481783.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 = 243
First residue number = 1
Last residue number = 243
Number of atoms found = 3551
Mean number per residue = 14.6
Pdbmat> Coordinate statistics:
= -41.673574 +/- 38.733254 From: -131.764000 To: 27.253000
= 30.990072 +/- 26.309058 From: -17.316000 To: 83.968000
= 90.599726 +/- 36.829393 From: 49.357000 To: 172.258000
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 3.1567 % Filled.
Pdbmat> 1791353 non-zero elements.
Pdbmat> 196708 atom-atom interactions.
Pdbmat> Number per atom= 110.79 +/- 41.53
Maximum number = 239
Minimum number = 23
Pdbmat> Matrix trace = 3.934160E+06
Pdbmat> Larger element = 845.515
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
243 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 = 240110081534481783.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 240110081534481783.atom to be opened.
Openam> file on opening on unit 11:
240110081534481783.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3551 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> 243 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 37 atoms in block 2
Block first atom: 24
Blocpdb> 27 atoms in block 3
Block first atom: 61
Blocpdb> 35 atoms in block 4
Block first atom: 88
Blocpdb> 23 atoms in block 5
Block first atom: 123
Blocpdb> 26 atoms in block 6
Block first atom: 146
Blocpdb> 20 atoms in block 7
Block first atom: 172
Blocpdb> 36 atoms in block 8
Block first atom: 192
Blocpdb> 21 atoms in block 9
Block first atom: 228
Blocpdb> 21 atoms in block 10
Block first atom: 249
Blocpdb> 45 atoms in block 11
Block first atom: 270
Blocpdb> 38 atoms in block 12
Block first atom: 315
Blocpdb> 25 atoms in block 13
Block first atom: 353
Blocpdb> 17 atoms in block 14
Block first atom: 378
Blocpdb> 34 atoms in block 15
Block first atom: 395
Blocpdb> 21 atoms in block 16
Block first atom: 429
Blocpdb> 30 atoms in block 17
Block first atom: 450
Blocpdb> 25 atoms in block 18
Block first atom: 480
Blocpdb> 24 atoms in block 19
Block first atom: 505
Blocpdb> 28 atoms in block 20
Block first atom: 529
Blocpdb> 21 atoms in block 21
Block first atom: 557
Blocpdb> 40 atoms in block 22
Block first atom: 578
Blocpdb> 27 atoms in block 23
Block first atom: 618
Blocpdb> 33 atoms in block 24
Block first atom: 645
Blocpdb> 26 atoms in block 25
Block first atom: 678
Blocpdb> 33 atoms in block 26
Block first atom: 704
Blocpdb> 29 atoms in block 27
Block first atom: 737
Blocpdb> 27 atoms in block 28
Block first atom: 766
Blocpdb> 34 atoms in block 29
Block first atom: 793
Blocpdb> 22 atoms in block 30
Block first atom: 827
Blocpdb> 24 atoms in block 31
Block first atom: 849
Blocpdb> 24 atoms in block 32
Block first atom: 873
Blocpdb> 43 atoms in block 33
Block first atom: 897
Blocpdb> 21 atoms in block 34
Block first atom: 940
Blocpdb> 38 atoms in block 35
Block first atom: 961
Blocpdb> 21 atoms in block 36
Block first atom: 999
Blocpdb> 38 atoms in block 37
Block first atom: 1020
Blocpdb> 29 atoms in block 38
Block first atom: 1058
Blocpdb> 26 atoms in block 39
Block first atom: 1087
Blocpdb> 17 atoms in block 40
Block first atom: 1113
Blocpdb> 21 atoms in block 41
Block first atom: 1130
Blocpdb> 21 atoms in block 42
Block first atom: 1151
Blocpdb> 37 atoms in block 43
Block first atom: 1172
Blocpdb> 29 atoms in block 44
Block first atom: 1209
Blocpdb> 33 atoms in block 45
Block first atom: 1238
Blocpdb> 19 atoms in block 46
Block first atom: 1271
Blocpdb> 29 atoms in block 47
Block first atom: 1290
Blocpdb> 20 atoms in block 48
Block first atom: 1319
Blocpdb> 20 atoms in block 49
Block first atom: 1339
Blocpdb> 34 atoms in block 50
Block first atom: 1359
Blocpdb> 31 atoms in block 51
Block first atom: 1393
Blocpdb> 25 atoms in block 52
Block first atom: 1424
Blocpdb> 25 atoms in block 53
Block first atom: 1449
Blocpdb> 24 atoms in block 54
Block first atom: 1474
Blocpdb> 40 atoms in block 55
Block first atom: 1498
Blocpdb> 39 atoms in block 56
Block first atom: 1538
Blocpdb> 14 atoms in block 57
Block first atom: 1577
Blocpdb> 29 atoms in block 58
Block first atom: 1591
Blocpdb> 28 atoms in block 59
Block first atom: 1620
Blocpdb> 26 atoms in block 60
Block first atom: 1648
Blocpdb> 30 atoms in block 61
Block first atom: 1674
Blocpdb> 31 atoms in block 62
Block first atom: 1704
Blocpdb> 24 atoms in block 63
Block first atom: 1735
Blocpdb> 21 atoms in block 64
Block first atom: 1759
Blocpdb> 34 atoms in block 65
Block first atom: 1780
Blocpdb> 25 atoms in block 66
Block first atom: 1814
Blocpdb> 21 atoms in block 67
Block first atom: 1839
Blocpdb> 33 atoms in block 68
Block first atom: 1860
Blocpdb> 30 atoms in block 69
Block first atom: 1893
Blocpdb> 27 atoms in block 70
Block first atom: 1923
Blocpdb> 34 atoms in block 71
Block first atom: 1950
Blocpdb> 36 atoms in block 72
Block first atom: 1984
Blocpdb> 22 atoms in block 73
Block first atom: 2020
Blocpdb> 43 atoms in block 74
Block first atom: 2042
Blocpdb> 30 atoms in block 75
Block first atom: 2085
Blocpdb> 32 atoms in block 76
Block first atom: 2115
Blocpdb> 17 atoms in block 77
Block first atom: 2147
Blocpdb> 21 atoms in block 78
Block first atom: 2164
Blocpdb> 22 atoms in block 79
Block first atom: 2185
Blocpdb> 28 atoms in block 80
Block first atom: 2207
Blocpdb> 40 atoms in block 81
Block first atom: 2235
Blocpdb> 48 atoms in block 82
Block first atom: 2275
Blocpdb> 39 atoms in block 83
Block first atom: 2323
Blocpdb> 18 atoms in block 84
Block first atom: 2362
Blocpdb> 30 atoms in block 85
Block first atom: 2380
Blocpdb> 35 atoms in block 86
Block first atom: 2410
Blocpdb> 35 atoms in block 87
Block first atom: 2445
Blocpdb> 27 atoms in block 88
Block first atom: 2480
Blocpdb> 25 atoms in block 89
Block first atom: 2507
Blocpdb> 23 atoms in block 90
Block first atom: 2532
Blocpdb> 38 atoms in block 91
Block first atom: 2555
Blocpdb> 30 atoms in block 92
Block first atom: 2593
Blocpdb> 38 atoms in block 93
Block first atom: 2623
Blocpdb> 48 atoms in block 94
Block first atom: 2661
Blocpdb> 36 atoms in block 95
Block first atom: 2709
Blocpdb> 31 atoms in block 96
Block first atom: 2745
Blocpdb> 28 atoms in block 97
Block first atom: 2776
Blocpdb> 38 atoms in block 98
Block first atom: 2804
Blocpdb> 35 atoms in block 99
Block first atom: 2842
Blocpdb> 27 atoms in block 100
Block first atom: 2877
Blocpdb> 33 atoms in block 101
Block first atom: 2904
Blocpdb> 46 atoms in block 102
Block first atom: 2937
Blocpdb> 41 atoms in block 103
Block first atom: 2983
Blocpdb> 25 atoms in block 104
Block first atom: 3024
Blocpdb> 22 atoms in block 105
Block first atom: 3049
Blocpdb> 25 atoms in block 106
Block first atom: 3071
Blocpdb> 30 atoms in block 107
Block first atom: 3096
Blocpdb> 34 atoms in block 108
Block first atom: 3126
Blocpdb> 29 atoms in block 109
Block first atom: 3160
Blocpdb> 27 atoms in block 110
Block first atom: 3189
Blocpdb> 28 atoms in block 111
Block first atom: 3216
Blocpdb> 28 atoms in block 112
Block first atom: 3244
Blocpdb> 28 atoms in block 113
Block first atom: 3272
Blocpdb> 26 atoms in block 114
Block first atom: 3300
Blocpdb> 31 atoms in block 115
Block first atom: 3326
Blocpdb> 29 atoms in block 116
Block first atom: 3357
Blocpdb> 33 atoms in block 117
Block first atom: 3386
Blocpdb> 31 atoms in block 118
Block first atom: 3419
Blocpdb> 21 atoms in block 119
Block first atom: 3450
Blocpdb> 35 atoms in block 120
Block first atom: 3471
Blocpdb> 28 atoms in block 121
Block first atom: 3506
Blocpdb> 18 atoms in block 122
Block first atom: 3533
Blocpdb> 122 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 14 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> 1791475 matrix lines read.
Prepmat> Matrix order = 10653
Prepmat> Matrix trace = 3934160.0000
Prepmat> Last element read: 10653 10653 98.2149
Prepmat> 7504 lines saved.
Prepmat> 6689 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: 3551
RTB> Total mass = 3551.0000
RTB> Number of atoms found in matrix: 3551
RTB> Number of blocks = 122
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 210981.0372
RTB> 27474 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 = 732
Diagstd> Nb of non-zero elements: 27474
Diagstd> Projected matrix trace = 210981.0372
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 732 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 210981.0372
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 0.0003081 0.0008894 0.0012180 0.0054222
0.0077180 0.0141711 0.0185313 0.0300749 0.0373613
0.0677444 0.1180326 0.1492849 0.1757165 0.2178423
0.2328296 0.3947982 0.5144156 0.5947442 0.6743148
0.8783735 0.9646326 1.0687707 1.1257324 1.3477955
1.5029211 1.8080905 2.2824487 2.3700823 2.4823673
2.7621247 2.9770146 3.3677350 3.4775396 3.5270895
3.9706963 4.0253606 4.6154958 4.9042184 5.3616644
5.4584399 5.6425316 5.7772120 5.9693306 6.8257910
7.0585510 7.5377250 8.0541565 8.5985739 9.1548081
10.0090946 10.4720768 11.1663638 11.4362344 11.6909388
11.8755682 12.5222064 13.0653477 13.7679302 15.1805660
15.2531958 15.5773526 16.1333516 16.8388533 17.4673677
17.8941932 19.3501823 20.3331401 20.8178738 21.1351775
22.9330635 23.0210437 24.5553525 24.6504009 25.4234808
26.0164730 26.6966847 27.0727047 27.2929729 27.5626554
27.9797527 28.3729940 29.8989697 31.8988618 32.4647102
33.0857498 34.6808740 35.7270059 36.4943502 37.3350313
37.7468526 38.1422287 39.3829492 40.6340637 41.4835138
42.0694571 42.8332546 43.8998322 46.1927450 47.7461294
48.1375542
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034326 0.0034334 0.0034344 0.0034347
0.0034349 1.9059406 3.2384445 3.7898282 7.9962155
9.5399726 12.9269878 14.7824975 18.8320452 20.9897157
28.2638878 37.3075058 41.9568839 45.5199270 50.6834717
52.3979547 68.2311755 77.8847378 83.7452925 89.1716108
101.7735446 106.6537812 112.2632342 115.2160163 126.0687024
133.1261506 146.0176519 164.0573875 167.1771778 171.0914477
180.4749466 187.3638327 199.2802396 202.5029337 203.9405194
216.3857286 217.8701219 233.2944773 240.4806741 251.4462094
253.7053048 257.9480676 261.0083686 265.3127353 283.7081259
288.5048100 298.1366904 308.1806110 318.4259809 328.5639447
343.5521552 351.4080368 362.8700845 367.2288604 371.2957471
374.2161098 384.2693170 392.5145557 402.9300041 423.0963336
424.1072566 428.5900715 436.1717962 445.6065205 453.8465220
459.3580597 477.6808282 489.6632450 495.4655534 499.2271893
520.0275081 521.0240678 538.1066592 539.1471003 547.5361347
553.8848544 561.0789127 565.0164643 567.3103440 570.1062580
574.4036837 578.4260763 593.7770280 613.3139940 618.7298169
624.6198342 639.4996292 649.0730710 656.0064321 663.5192703
667.1686841 670.6536815 681.4741673 692.2140480 699.4119494
704.3341305 710.6991857 719.4932272 738.0438498 750.3508268
753.4202532
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3551
Rtb_to_modes> Number of blocs = 122
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: 9.9874E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9922E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9966E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.0805E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.8937E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.2180E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.4222E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.7180E-03
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.4171E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.8531E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.0075E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.7361E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.7744E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.1180
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.1493
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.1757
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.2178
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.2328
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.3948
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.5144
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.5947
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.6743
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.8784
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.9646
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.069
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.126
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.348
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.503
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.808
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.282
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.370
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.482
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.762
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.977
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.368
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.478
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.527
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.971
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.025
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.615
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.904
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.362
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.458
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.643
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.777
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.969
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.826
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.059
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.538
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 8.054
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 8.599
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 9.155
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 10.01
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.17
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 11.44
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 11.69
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 12.52
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.77
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 15.18
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 15.25
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 15.58
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 16.13
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 17.47
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 19.35
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 20.33
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 23.02
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 24.56
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 24.65
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 25.42
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 26.02
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 26.70
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 27.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 27.29
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 27.56
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 27.98
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 28.37
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 29.90
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 31.90
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 32.46
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.09
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 34.68
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.73
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 36.49
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 37.34
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 37.75
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 38.14
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 39.38
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 40.63
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 41.48
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 42.07
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 42.83
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 43.90
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 46.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 47.75
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 48.14
Rtb_to_modes> 106 vectors, with 732 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 0.99999 1.00000 1.00000 0.99999
1.00000 1.00000 1.00004 1.00001 1.00003
0.99999 1.00002 1.00002 0.99998 1.00001
1.00002 0.99998 1.00001 1.00000 0.99999
0.99999 1.00002 1.00000 1.00002 1.00001
1.00000 0.99999 1.00001 0.99999 0.99998
0.99999 1.00000 1.00000 1.00000 0.99999
0.99998 0.99998 1.00000 1.00000 1.00000
1.00002 0.99999 0.99994 1.00001 1.00000
1.00003 1.00001 0.99999 1.00001 0.99998
0.99999 1.00002 0.99999 1.00000 1.00002
0.99999 1.00003 0.99998 1.00000 0.99998
0.99999 0.99998 1.00001 1.00000 1.00003
1.00004 1.00000 1.00001 1.00000 0.99997
1.00001 1.00000 0.99999 1.00000 0.99997
0.99999 1.00001 0.99998 0.99999 0.99999
1.00000 0.99999 0.99995 0.99999 0.99998
1.00002 1.00001 1.00002 1.00001 1.00000
1.00002 0.99998 1.00000 1.00001 1.00000
0.99999 1.00000 1.00001 0.99999 1.00002
0.99999 1.00001 1.00000 1.00002 1.00004
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 63918 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 0.99999 1.00000 1.00000 0.99999
1.00000 1.00000 1.00004 1.00001 1.00003
0.99999 1.00002 1.00002 0.99998 1.00001
1.00002 0.99998 1.00001 1.00000 0.99999
0.99999 1.00002 1.00000 1.00002 1.00001
1.00000 0.99999 1.00001 0.99999 0.99998
0.99999 1.00000 1.00000 1.00000 0.99999
0.99998 0.99998 1.00000 1.00000 1.00000
1.00002 0.99999 0.99994 1.00001 1.00000
1.00003 1.00001 0.99999 1.00001 0.99998
0.99999 1.00002 0.99999 1.00000 1.00002
0.99999 1.00003 0.99998 1.00000 0.99998
0.99999 0.99998 1.00001 1.00000 1.00003
1.00004 1.00000 1.00001 1.00000 0.99997
1.00001 1.00000 0.99999 1.00000 0.99997
0.99999 1.00001 0.99998 0.99999 0.99999
1.00000 0.99999 0.99995 0.99999 0.99998
1.00002 1.00001 1.00002 1.00001 1.00000
1.00002 0.99998 1.00000 1.00001 1.00000
0.99999 1.00000 1.00001 0.99999 1.00002
0.99999 1.00001 1.00000 1.00002 1.00004
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000-0.000 0.000 0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000 0.000 0.000
Vector 8:-0.000-0.000 0.000-0.000 0.000-0.000 0.000
Vector 9:-0.000 0.000-0.000-0.000-0.000-0.000 0.000-0.000
Vector 10:-0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240110081534481783.eigenfacs
Openam> file on opening on unit 10:
240110081534481783.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110081534481783.atom
Openam> file on opening on unit 11:
240110081534481783.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 = 243
First residue number = 1
Last residue number = 243
Number of atoms found = 3551
Mean number per residue = 14.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-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: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0805E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.8937E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.2180E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.4222E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7180E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4171E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8531E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0075E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7361E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7744E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 8.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 15.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 16.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 23.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 24.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 24.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 25.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 26.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 26.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 27.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 27.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 27.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 27.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 28.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 29.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 31.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 32.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 34.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 36.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 37.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 37.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 39.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 40.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 41.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 42.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 42.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 43.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 46.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 47.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 48.14
Bfactors> 106 vectors, 10653 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 : 0.000308
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> = 24.190 +/- 36.78
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -24.190
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 240110081534481783 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=0
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=100
240110081534481783.eigenfacs
240110081534481783.atom
making animated gifs
11 models are in 240110081534481783.7.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 240110081534481783.7.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 240110081534481783.7.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 240110081534481783 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=0
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=100
240110081534481783.eigenfacs
240110081534481783.atom
making animated gifs
11 models are in 240110081534481783.8.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 240110081534481783.8.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 240110081534481783.8.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 240110081534481783 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=0
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=100
240110081534481783.eigenfacs
240110081534481783.atom
making animated gifs
11 models are in 240110081534481783.9.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 240110081534481783.9.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 240110081534481783.9.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 240110081534481783 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=0
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=100
240110081534481783.eigenfacs
240110081534481783.atom
making animated gifs
11 models are in 240110081534481783.10.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 240110081534481783.10.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 240110081534481783.10.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 240110081534481783 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=-20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=0
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=20
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=40
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=60
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=80
240110081534481783.eigenfacs
240110081534481783.atom
calculating perturbed structure for DQ=100
240110081534481783.eigenfacs
240110081534481783.atom
making animated gifs
11 models are in 240110081534481783.11.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 240110081534481783.11.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 240110081534481783.11.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
240110081534481783.10.pdb
240110081534481783.11.pdb
240110081534481783.7.pdb
240110081534481783.8.pdb
240110081534481783.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.912s
user 0m10.816s
sys 0m0.096s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240110081534481783.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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