*** 01-JUN-22 ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 240108104206200400.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 240108104206200400.atom to be opened.
Openam> File opened: 240108104206200400.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 = 456
First residue number = 1
Last residue number = 456
Number of atoms found = 3740
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -2.476170 +/- 15.460734 From: -54.332000 To: 27.416000
= -2.981256 +/- 15.576134 From: -58.725000 To: 25.522000
= -2.815214 +/- 14.141397 From: -35.927000 To: 30.544000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.2488 % Filled.
Pdbmat> 1415620 non-zero elements.
Pdbmat> 154825 atom-atom interactions.
Pdbmat> Number per atom= 82.79 +/- 27.74
Maximum number = 135
Minimum number = 7
Pdbmat> Matrix trace = 3.096500E+06
Pdbmat> Larger element = 521.824
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
456 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 240108104206200400.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 240108104206200400.atom to be opened.
Openam> file on opening on unit 11:
240108104206200400.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3740 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 456 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 34 atoms in block 2
Block first atom: 26
Blocpdb> 22 atoms in block 3
Block first atom: 60
Blocpdb> 25 atoms in block 4
Block first atom: 82
Blocpdb> 27 atoms in block 5
Block first atom: 107
Blocpdb> 22 atoms in block 6
Block first atom: 134
Blocpdb> 29 atoms in block 7
Block first atom: 156
Blocpdb> 30 atoms in block 8
Block first atom: 185
Blocpdb> 24 atoms in block 9
Block first atom: 215
Blocpdb> 22 atoms in block 10
Block first atom: 239
Blocpdb> 25 atoms in block 11
Block first atom: 261
Blocpdb> 21 atoms in block 12
Block first atom: 286
Blocpdb> 24 atoms in block 13
Block first atom: 307
Blocpdb> 24 atoms in block 14
Block first atom: 331
Blocpdb> 23 atoms in block 15
Block first atom: 355
Blocpdb> 24 atoms in block 16
Block first atom: 378
Blocpdb> 23 atoms in block 17
Block first atom: 402
Blocpdb> 21 atoms in block 18
Block first atom: 425
Blocpdb> 28 atoms in block 19
Block first atom: 446
Blocpdb> 29 atoms in block 20
Block first atom: 474
Blocpdb> 28 atoms in block 21
Block first atom: 503
Blocpdb> 23 atoms in block 22
Block first atom: 531
Blocpdb> 24 atoms in block 23
Block first atom: 554
Blocpdb> 30 atoms in block 24
Block first atom: 578
Blocpdb> 21 atoms in block 25
Block first atom: 608
Blocpdb> 24 atoms in block 26
Block first atom: 629
Blocpdb> 21 atoms in block 27
Block first atom: 653
Blocpdb> 25 atoms in block 28
Block first atom: 674
Blocpdb> 29 atoms in block 29
Block first atom: 699
Blocpdb> 27 atoms in block 30
Block first atom: 728
Blocpdb> 20 atoms in block 31
Block first atom: 755
Blocpdb> 27 atoms in block 32
Block first atom: 775
Blocpdb> 26 atoms in block 33
Block first atom: 802
Blocpdb> 36 atoms in block 34
Block first atom: 828
Blocpdb> 23 atoms in block 35
Block first atom: 864
Blocpdb> 23 atoms in block 36
Block first atom: 887
Blocpdb> 31 atoms in block 37
Block first atom: 910
Blocpdb> 22 atoms in block 38
Block first atom: 941
Blocpdb> 20 atoms in block 39
Block first atom: 963
Blocpdb> 29 atoms in block 40
Block first atom: 983
Blocpdb> 35 atoms in block 41
Block first atom: 1012
Blocpdb> 21 atoms in block 42
Block first atom: 1047
Blocpdb> 25 atoms in block 43
Block first atom: 1068
Blocpdb> 20 atoms in block 44
Block first atom: 1093
Blocpdb> 22 atoms in block 45
Block first atom: 1113
Blocpdb> 25 atoms in block 46
Block first atom: 1135
Blocpdb> 15 atoms in block 47
Block first atom: 1160
Blocpdb> 23 atoms in block 48
Block first atom: 1175
Blocpdb> 22 atoms in block 49
Block first atom: 1198
Blocpdb> 26 atoms in block 50
Block first atom: 1220
Blocpdb> 24 atoms in block 51
Block first atom: 1246
Blocpdb> 22 atoms in block 52
Block first atom: 1270
Blocpdb> 26 atoms in block 53
Block first atom: 1292
Blocpdb> 19 atoms in block 54
Block first atom: 1318
Blocpdb> 27 atoms in block 55
Block first atom: 1337
Blocpdb> 20 atoms in block 56
Block first atom: 1364
Blocpdb> 25 atoms in block 57
Block first atom: 1384
Blocpdb> 28 atoms in block 58
Block first atom: 1409
Blocpdb> 30 atoms in block 59
Block first atom: 1437
Blocpdb> 29 atoms in block 60
Block first atom: 1467
Blocpdb> 25 atoms in block 61
Block first atom: 1496
Blocpdb> 25 atoms in block 62
Block first atom: 1521
Blocpdb> 29 atoms in block 63
Block first atom: 1546
Blocpdb> 29 atoms in block 64
Block first atom: 1575
Blocpdb> 27 atoms in block 65
Block first atom: 1604
Blocpdb> 22 atoms in block 66
Block first atom: 1631
Blocpdb> 19 atoms in block 67
Block first atom: 1653
Blocpdb> 36 atoms in block 68
Block first atom: 1672
Blocpdb> 21 atoms in block 69
Block first atom: 1708
Blocpdb> 23 atoms in block 70
Block first atom: 1729
Blocpdb> 17 atoms in block 71
Block first atom: 1752
Blocpdb> 23 atoms in block 72
Block first atom: 1769
Blocpdb> 21 atoms in block 73
Block first atom: 1792
Blocpdb> 31 atoms in block 74
Block first atom: 1813
Blocpdb> 26 atoms in block 75
Block first atom: 1844
Blocpdb> 28 atoms in block 76
Block first atom: 1870
Blocpdb> 20 atoms in block 77
Block first atom: 1898
Blocpdb> 19 atoms in block 78
Block first atom: 1918
Blocpdb> 30 atoms in block 79
Block first atom: 1937
Blocpdb> 30 atoms in block 80
Block first atom: 1967
Blocpdb> 25 atoms in block 81
Block first atom: 1997
Blocpdb> 20 atoms in block 82
Block first atom: 2022
Blocpdb> 22 atoms in block 83
Block first atom: 2042
Blocpdb> 21 atoms in block 84
Block first atom: 2064
Blocpdb> 24 atoms in block 85
Block first atom: 2085
Blocpdb> 21 atoms in block 86
Block first atom: 2109
Blocpdb> 29 atoms in block 87
Block first atom: 2130
Blocpdb> 25 atoms in block 88
Block first atom: 2159
Blocpdb> 26 atoms in block 89
Block first atom: 2184
Blocpdb> 21 atoms in block 90
Block first atom: 2210
Blocpdb> 25 atoms in block 91
Block first atom: 2231
Blocpdb> 30 atoms in block 92
Block first atom: 2256
Blocpdb> 24 atoms in block 93
Block first atom: 2286
Blocpdb> 22 atoms in block 94
Block first atom: 2310
Blocpdb> 30 atoms in block 95
Block first atom: 2332
Blocpdb> 26 atoms in block 96
Block first atom: 2362
Blocpdb> 20 atoms in block 97
Block first atom: 2388
Blocpdb> 31 atoms in block 98
Block first atom: 2408
Blocpdb> 27 atoms in block 99
Block first atom: 2439
Blocpdb> 24 atoms in block 100
Block first atom: 2466
Blocpdb> 25 atoms in block 101
Block first atom: 2490
Blocpdb> 20 atoms in block 102
Block first atom: 2515
Blocpdb> 23 atoms in block 103
Block first atom: 2535
Blocpdb> 23 atoms in block 104
Block first atom: 2558
Blocpdb> 20 atoms in block 105
Block first atom: 2581
Blocpdb> 26 atoms in block 106
Block first atom: 2601
Blocpdb> 24 atoms in block 107
Block first atom: 2627
Blocpdb> 28 atoms in block 108
Block first atom: 2651
Blocpdb> 23 atoms in block 109
Block first atom: 2679
Blocpdb> 27 atoms in block 110
Block first atom: 2702
Blocpdb> 26 atoms in block 111
Block first atom: 2729
Blocpdb> 26 atoms in block 112
Block first atom: 2755
Blocpdb> 21 atoms in block 113
Block first atom: 2781
Blocpdb> 22 atoms in block 114
Block first atom: 2802
Blocpdb> 27 atoms in block 115
Block first atom: 2824
Blocpdb> 25 atoms in block 116
Block first atom: 2851
Blocpdb> 24 atoms in block 117
Block first atom: 2876
Blocpdb> 25 atoms in block 118
Block first atom: 2900
Blocpdb> 28 atoms in block 119
Block first atom: 2925
Blocpdb> 20 atoms in block 120
Block first atom: 2953
Blocpdb> 28 atoms in block 121
Block first atom: 2973
Blocpdb> 21 atoms in block 122
Block first atom: 3001
Blocpdb> 32 atoms in block 123
Block first atom: 3022
Blocpdb> 18 atoms in block 124
Block first atom: 3054
Blocpdb> 25 atoms in block 125
Block first atom: 3072
Blocpdb> 28 atoms in block 126
Block first atom: 3097
Blocpdb> 26 atoms in block 127
Block first atom: 3125
Blocpdb> 26 atoms in block 128
Block first atom: 3151
Blocpdb> 21 atoms in block 129
Block first atom: 3177
Blocpdb> 18 atoms in block 130
Block first atom: 3198
Blocpdb> 24 atoms in block 131
Block first atom: 3216
Blocpdb> 24 atoms in block 132
Block first atom: 3240
Blocpdb> 22 atoms in block 133
Block first atom: 3264
Blocpdb> 28 atoms in block 134
Block first atom: 3286
Blocpdb> 26 atoms in block 135
Block first atom: 3314
Blocpdb> 30 atoms in block 136
Block first atom: 3340
Blocpdb> 20 atoms in block 137
Block first atom: 3370
Blocpdb> 20 atoms in block 138
Block first atom: 3390
Blocpdb> 20 atoms in block 139
Block first atom: 3410
Blocpdb> 22 atoms in block 140
Block first atom: 3430
Blocpdb> 25 atoms in block 141
Block first atom: 3452
Blocpdb> 21 atoms in block 142
Block first atom: 3477
Blocpdb> 23 atoms in block 143
Block first atom: 3498
Blocpdb> 23 atoms in block 144
Block first atom: 3521
Blocpdb> 28 atoms in block 145
Block first atom: 3544
Blocpdb> 22 atoms in block 146
Block first atom: 3572
Blocpdb> 24 atoms in block 147
Block first atom: 3594
Blocpdb> 20 atoms in block 148
Block first atom: 3618
Blocpdb> 22 atoms in block 149
Block first atom: 3638
Blocpdb> 30 atoms in block 150
Block first atom: 3660
Blocpdb> 24 atoms in block 151
Block first atom: 3690
Blocpdb> 27 atoms in block 152
Block first atom: 3713
Blocpdb> 152 blocks.
Blocpdb> At most, 36 atoms in each of them.
Blocpdb> At least, 15 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1415772 matrix lines read.
Prepmat> Matrix order = 11220
Prepmat> Matrix trace = 3096500.0000
Prepmat> Last element read: 11220 11220 127.7407
Prepmat> 11629 lines saved.
Prepmat> 10081 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: 3740
RTB> Total mass = 3740.0000
RTB> Number of atoms found in matrix: 3740
RTB> Number of blocks = 152
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 197631.8742
RTB> 53412 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 = 912
Diagstd> Nb of non-zero elements: 53412
Diagstd> Projected matrix trace = 197631.8742
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 912 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 197631.8742
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 0.0001687 0.0003047 0.0030314 0.0038619
0.0132137 0.0169381 0.0326788 0.0474185 0.0727623
0.1920118 0.2882400 0.3710754 0.4676370 0.5826216
0.9131542 0.9640555 1.1574983 1.3936031 1.7564094
2.0596319 2.1803122 2.5117191 2.9536554 3.2579164
3.9542993 4.4039350 4.5181269 4.8583768 5.3335266
5.5265754 5.6538607 5.9531804 6.3741747 7.2938067
7.4579489 8.0980270 8.4005555 9.1515396 10.6371486
11.1902153 11.6253793 12.3690529 12.5718254 13.3343524
13.7787718 13.9310134 14.2127649 14.8377915 15.2697903
16.2143529 16.6359394 16.7828876 17.0693429 17.8844530
18.6345526 18.7298888 19.4827863 19.6836349 20.0244948
20.4102369 21.1813971 22.3637946 22.7899503 24.1354138
24.9055798 25.7051938 26.6562578 27.1264520 27.3205838
27.6946189 28.6206468 28.7214506 29.0205949 29.1773984
30.3466877 30.6650258 31.0071052 31.7701632 32.0588033
33.5906742 33.6480765 34.0107577 35.0351113 35.5217088
36.8930963 37.0824278 37.4188655 37.8373231 38.2373469
39.2636467 39.7428151 40.5542815 40.8803397 40.9692986
41.5989089 42.0349286 42.4549357 42.9268973 43.5310553
43.8827323
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034336 0.0034336 0.0034340 0.0034340
0.0034359 1.4102786 1.8953970 5.9788780 6.7482835
12.4826622 14.1327700 19.6303644 23.6466140 29.2919647
47.5838115 58.3005192 66.1494691 74.2591053 82.8874080
103.7689277 106.6218708 116.8302942 128.1931556 143.9156958
155.8439977 160.3447066 172.0999770 186.6273077 196.0041418
215.9384851 227.8849963 230.8205610 239.3541046 250.7855518
255.2838437 258.2068927 264.9535866 274.1620020 293.2732188
296.5548164 309.0187913 314.7380741 328.5052855 354.1668370
363.2574270 370.2532215 381.9121749 385.0298952 396.5347430
403.0886175 405.3093619 409.3874889 418.2923412 424.3378940
437.2653773 442.9135284 444.8653938 448.6458777 459.2330236
468.7645552 469.9621477 479.3147719 481.7790720 485.9326321
490.5906911 499.7727595 513.5326102 518.4023597 533.4855427
541.9305183 550.5613515 560.6539289 565.5770485 567.5972309
571.4693949 580.9449792 581.9671428 584.9899911 586.5682649
598.2062251 601.3356445 604.6803995 612.0755098 614.8496551
629.3679757 629.9055016 633.2911715 642.7573194 647.2055089
659.5805386 661.2708216 664.2638042 667.9677302 671.4893913
680.4411925 684.5806088 691.5341572 694.3085740 695.0635986
700.3840548 704.0450306 707.5536477 711.4756317 716.4648328
719.3530855
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3740
Rtb_to_modes> Number of blocs = 152
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: 9.9964E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.6866E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.0466E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.0314E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.8619E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.3214E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.6938E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.2679E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.7418E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.2762E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1920
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2882
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.3711
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.4676
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5826
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.9132
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.9641
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.157
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.394
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.756
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.060
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.180
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.512
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.954
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.258
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.954
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.404
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.518
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.858
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.334
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.527
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 5.654
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.953
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.374
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.294
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.458
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.098
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.401
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.152
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 10.64
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.19
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 11.63
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.33
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 13.93
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 14.21
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 15.27
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 16.78
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 17.07
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 17.88
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 18.63
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 19.48
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 19.68
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 20.02
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 20.41
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.36
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.79
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 24.14
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 24.91
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.71
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 26.66
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 27.13
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 27.32
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 27.69
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.62
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.72
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.02
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 29.18
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.67
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.77
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 32.06
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 33.59
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.65
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 34.01
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 35.04
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 35.52
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 36.89
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 37.08
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 37.42
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 39.26
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 39.74
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 40.88
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 40.97
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 41.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 42.03
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 42.45
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 42.93
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 43.53
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 43.88
Rtb_to_modes> 106 vectors, with 912 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 0.99998 0.99999
1.00003 1.00003 1.00000 1.00003 0.99998
1.00000 1.00002 0.99996 1.00001 1.00004
1.00002 1.00002 1.00001 1.00002 1.00004
0.99995 0.99998 0.99998 0.99998 0.99997
1.00000 0.99996 1.00000 0.99997 1.00007
1.00006 1.00003 0.99999 0.99995 1.00002
1.00001 0.99998 1.00002 0.99998 1.00001
0.99994 0.99997 0.99999 1.00002 1.00002
1.00003 1.00003 1.00001 1.00000 1.00000
1.00001 0.99999 1.00001 1.00000 0.99997
1.00001 0.99999 1.00004 0.99998 1.00002
1.00002 0.99999 0.99998 0.99998 1.00000
1.00000 1.00000 0.99997 1.00001 0.99998
1.00000 1.00001 0.99996 1.00000 1.00002
0.99998 1.00002 1.00002 0.99997 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
1.00003 1.00000 0.99999 1.00000 1.00000
0.99997 1.00001 1.00001 0.99998 0.99999
1.00001 1.00000 0.99999 1.00002 0.99996
1.00000 0.99999 0.99998 1.00000 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 67320 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 0.99998 0.99999
1.00003 1.00003 1.00000 1.00003 0.99998
1.00000 1.00002 0.99996 1.00001 1.00004
1.00002 1.00002 1.00001 1.00002 1.00004
0.99995 0.99998 0.99998 0.99998 0.99997
1.00000 0.99996 1.00000 0.99997 1.00007
1.00006 1.00003 0.99999 0.99995 1.00002
1.00001 0.99998 1.00002 0.99998 1.00001
0.99994 0.99997 0.99999 1.00002 1.00002
1.00003 1.00003 1.00001 1.00000 1.00000
1.00001 0.99999 1.00001 1.00000 0.99997
1.00001 0.99999 1.00004 0.99998 1.00002
1.00002 0.99999 0.99998 0.99998 1.00000
1.00000 1.00000 0.99997 1.00001 0.99998
1.00000 1.00001 0.99996 1.00000 1.00002
0.99998 1.00002 1.00002 0.99997 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
1.00003 1.00000 0.99999 1.00000 1.00000
0.99997 1.00001 1.00001 0.99998 0.99999
1.00001 1.00000 0.99999 1.00002 0.99996
1.00000 0.99999 0.99998 1.00000 1.00000
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> 240108104206200400.eigenfacs
Openam> file on opening on unit 10:
240108104206200400.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240108104206200400.atom
Openam> file on opening on unit 11:
240108104206200400.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 = 456
First residue number = 1
Last residue number = 456
Number of atoms found = 3740
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6866E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0466E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0314E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8619E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3214E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6938E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.2679E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7418E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2762E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 10.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 17.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 17.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 18.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 19.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 24.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 24.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 26.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 27.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 27.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 27.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 29.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 32.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 33.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 34.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 35.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 35.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 36.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 37.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 37.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 39.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 39.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 40.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 40.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 41.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 42.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 42.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 42.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 43.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 43.88
Bfactors> 106 vectors, 11220 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 : 0.000169
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.478 for 456 C-alpha atoms.
Bfactors> = 37.880 +/- 175.68
Bfactors> = 88.616 +/- 20.39
Bfactors> Shiftng-fct= 50.736
Bfactors> Scaling-fct= 0.116
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240108104206200400 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=0
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=100
240108104206200400.eigenfacs
240108104206200400.atom
making animated gifs
11 models are in 240108104206200400.7.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 240108104206200400.7.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 240108104206200400.7.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 240108104206200400 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=0
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=100
240108104206200400.eigenfacs
240108104206200400.atom
making animated gifs
11 models are in 240108104206200400.8.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 240108104206200400.8.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 240108104206200400.8.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 240108104206200400 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=0
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=100
240108104206200400.eigenfacs
240108104206200400.atom
making animated gifs
11 models are in 240108104206200400.9.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 240108104206200400.9.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 240108104206200400.9.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 240108104206200400 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=0
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=100
240108104206200400.eigenfacs
240108104206200400.atom
making animated gifs
11 models are in 240108104206200400.10.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 240108104206200400.10.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 240108104206200400.10.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 240108104206200400 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=-20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=0
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=20
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=40
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=60
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=80
240108104206200400.eigenfacs
240108104206200400.atom
calculating perturbed structure for DQ=100
240108104206200400.eigenfacs
240108104206200400.atom
making animated gifs
11 models are in 240108104206200400.11.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 240108104206200400.11.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 240108104206200400.11.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
240108104206200400.10.pdb
240108104206200400.11.pdb
240108104206200400.7.pdb
240108104206200400.8.pdb
240108104206200400.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.464s
user 0m15.375s
sys 0m0.060s
../../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: 240108104206200400.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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