*** ESR1-estradiol ***
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 = 2403271938581017215.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 2403271938581017215.atom to be opened.
Openam> File opened: 2403271938581017215.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 = 471
First residue number = 308
Last residue number = 11
Number of atoms found = 3721
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 48.230293 +/- 13.026016 From: 18.878000 To: 79.547000
= 1.575411 +/- 10.381806 From: -22.132000 To: 26.109000
= 72.628884 +/- 14.401017 From: 44.191000 To: 103.570000
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 2.2616 % Filled.
Pdbmat> 1409230 non-zero elements.
Pdbmat> 154126 atom-atom interactions.
Pdbmat> Number per atom= 82.84 +/- 20.75
Maximum number = 130
Minimum number = 23
Pdbmat> Matrix trace = 3.082520E+06
Pdbmat> Larger element = 525.343
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
471 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 = 2403271938581017215.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 2403271938581017215.atom to be opened.
Openam> file on opening on unit 11:
2403271938581017215.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3721 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> 471 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 19
Blocpdb> 24 atoms in block 3
Block first atom: 39
Blocpdb> 19 atoms in block 4
Block first atom: 63
Blocpdb> 21 atoms in block 5
Block first atom: 82
Blocpdb> 23 atoms in block 6
Block first atom: 103
Blocpdb> 28 atoms in block 7
Block first atom: 126
Blocpdb> 27 atoms in block 8
Block first atom: 154
Blocpdb> 22 atoms in block 9
Block first atom: 181
Blocpdb> 23 atoms in block 10
Block first atom: 203
Blocpdb> 20 atoms in block 11
Block first atom: 226
Blocpdb> 22 atoms in block 12
Block first atom: 246
Blocpdb> 20 atoms in block 13
Block first atom: 268
Blocpdb> 23 atoms in block 14
Block first atom: 288
Blocpdb> 24 atoms in block 15
Block first atom: 311
Blocpdb> 24 atoms in block 16
Block first atom: 335
Blocpdb> 26 atoms in block 17
Block first atom: 359
Blocpdb> 27 atoms in block 18
Block first atom: 385
Blocpdb> 25 atoms in block 19
Block first atom: 412
Blocpdb> 22 atoms in block 20
Block first atom: 437
Blocpdb> 23 atoms in block 21
Block first atom: 459
Blocpdb> 25 atoms in block 22
Block first atom: 482
Blocpdb> 24 atoms in block 23
Block first atom: 507
Blocpdb> 26 atoms in block 24
Block first atom: 531
Blocpdb> 26 atoms in block 25
Block first atom: 557
Blocpdb> 31 atoms in block 26
Block first atom: 583
Blocpdb> 24 atoms in block 27
Block first atom: 614
Blocpdb> 20 atoms in block 28
Block first atom: 638
Blocpdb> 32 atoms in block 29
Block first atom: 658
Blocpdb> 19 atoms in block 30
Block first atom: 690
Blocpdb> 21 atoms in block 31
Block first atom: 709
Blocpdb> 25 atoms in block 32
Block first atom: 730
Blocpdb> 23 atoms in block 33
Block first atom: 755
Blocpdb> 24 atoms in block 34
Block first atom: 778
Blocpdb> 27 atoms in block 35
Block first atom: 802
Blocpdb> 21 atoms in block 36
Block first atom: 829
Blocpdb> 22 atoms in block 37
Block first atom: 850
Blocpdb> 17 atoms in block 38
Block first atom: 872
Blocpdb> 20 atoms in block 39
Block first atom: 889
Blocpdb> 27 atoms in block 40
Block first atom: 909
Blocpdb> 21 atoms in block 41
Block first atom: 936
Blocpdb> 19 atoms in block 42
Block first atom: 957
Blocpdb> 33 atoms in block 43
Block first atom: 976
Blocpdb> 21 atoms in block 44
Block first atom: 1009
Blocpdb> 21 atoms in block 45
Block first atom: 1030
Blocpdb> 29 atoms in block 46
Block first atom: 1051
Blocpdb> 21 atoms in block 47
Block first atom: 1080
Blocpdb> 29 atoms in block 48
Block first atom: 1101
Blocpdb> 24 atoms in block 49
Block first atom: 1130
Blocpdb> 18 atoms in block 50
Block first atom: 1154
Blocpdb> 23 atoms in block 51
Block first atom: 1172
Blocpdb> 23 atoms in block 52
Block first atom: 1195
Blocpdb> 28 atoms in block 53
Block first atom: 1218
Blocpdb> 25 atoms in block 54
Block first atom: 1246
Blocpdb> 23 atoms in block 55
Block first atom: 1271
Blocpdb> 23 atoms in block 56
Block first atom: 1294
Blocpdb> 26 atoms in block 57
Block first atom: 1317
Blocpdb> 15 atoms in block 58
Block first atom: 1343
Blocpdb> 27 atoms in block 59
Block first atom: 1358
Blocpdb> 26 atoms in block 60
Block first atom: 1385
Blocpdb> 28 atoms in block 61
Block first atom: 1411
Blocpdb> 24 atoms in block 62
Block first atom: 1439
Blocpdb> 25 atoms in block 63
Block first atom: 1463
Blocpdb> 24 atoms in block 64
Block first atom: 1488
Blocpdb> 27 atoms in block 65
Block first atom: 1512
Blocpdb> 29 atoms in block 66
Block first atom: 1539
Blocpdb> 23 atoms in block 67
Block first atom: 1568
Blocpdb> 21 atoms in block 68
Block first atom: 1591
Blocpdb> 30 atoms in block 69
Block first atom: 1612
Blocpdb> 29 atoms in block 70
Block first atom: 1642
Blocpdb> 23 atoms in block 71
Block first atom: 1671
Blocpdb> 21 atoms in block 72
Block first atom: 1694
Blocpdb> 22 atoms in block 73
Block first atom: 1715
Blocpdb> 24 atoms in block 74
Block first atom: 1737
Blocpdb> 25 atoms in block 75
Block first atom: 1761
Blocpdb> 23 atoms in block 76
Block first atom: 1786
Blocpdb> 19 atoms in block 77
Block first atom: 1809
Blocpdb> 20 atoms in block 78
Block first atom: 1828
Blocpdb> 25 atoms in block 79
Block first atom: 1848
Blocpdb> 24 atoms in block 80
Block first atom: 1873
Blocpdb> 24 atoms in block 81
Block first atom: 1897
Blocpdb> 21 atoms in block 82
Block first atom: 1921
Blocpdb> 23 atoms in block 83
Block first atom: 1942
Blocpdb> 18 atoms in block 84
Block first atom: 1965
Blocpdb> 20 atoms in block 85
Block first atom: 1983
Blocpdb> 22 atoms in block 86
Block first atom: 2003
Blocpdb> 20 atoms in block 87
Block first atom: 2025
Blocpdb> 23 atoms in block 88
Block first atom: 2045
Blocpdb> 24 atoms in block 89
Block first atom: 2068
Blocpdb> 24 atoms in block 90
Block first atom: 2092
Blocpdb> 26 atoms in block 91
Block first atom: 2116
Blocpdb> 27 atoms in block 92
Block first atom: 2142
Blocpdb> 27 atoms in block 93
Block first atom: 2169
Blocpdb> 22 atoms in block 94
Block first atom: 2196
Blocpdb> 23 atoms in block 95
Block first atom: 2218
Blocpdb> 20 atoms in block 96
Block first atom: 2241
Blocpdb> 24 atoms in block 97
Block first atom: 2261
Blocpdb> 26 atoms in block 98
Block first atom: 2285
Blocpdb> 26 atoms in block 99
Block first atom: 2311
Blocpdb> 31 atoms in block 100
Block first atom: 2337
Blocpdb> 24 atoms in block 101
Block first atom: 2368
Blocpdb> 20 atoms in block 102
Block first atom: 2392
Blocpdb> 32 atoms in block 103
Block first atom: 2412
Blocpdb> 19 atoms in block 104
Block first atom: 2444
Blocpdb> 21 atoms in block 105
Block first atom: 2463
Blocpdb> 25 atoms in block 106
Block first atom: 2484
Blocpdb> 23 atoms in block 107
Block first atom: 2509
Blocpdb> 24 atoms in block 108
Block first atom: 2532
Blocpdb> 24 atoms in block 109
Block first atom: 2556
Blocpdb> 21 atoms in block 110
Block first atom: 2580
Blocpdb> 22 atoms in block 111
Block first atom: 2601
Blocpdb> 17 atoms in block 112
Block first atom: 2623
Blocpdb> 20 atoms in block 113
Block first atom: 2640
Blocpdb> 27 atoms in block 114
Block first atom: 2660
Blocpdb> 21 atoms in block 115
Block first atom: 2687
Blocpdb> 25 atoms in block 116
Block first atom: 2708
Blocpdb> 33 atoms in block 117
Block first atom: 2733
Blocpdb> 24 atoms in block 118
Block first atom: 2766
Blocpdb> 21 atoms in block 119
Block first atom: 2790
Blocpdb> 29 atoms in block 120
Block first atom: 2811
Blocpdb> 21 atoms in block 121
Block first atom: 2840
Blocpdb> 23 atoms in block 122
Block first atom: 2861
Blocpdb> 24 atoms in block 123
Block first atom: 2884
Blocpdb> 18 atoms in block 124
Block first atom: 2908
Blocpdb> 25 atoms in block 125
Block first atom: 2926
Blocpdb> 26 atoms in block 126
Block first atom: 2951
Blocpdb> 28 atoms in block 127
Block first atom: 2977
Blocpdb> 25 atoms in block 128
Block first atom: 3005
Blocpdb> 23 atoms in block 129
Block first atom: 3030
Blocpdb> 23 atoms in block 130
Block first atom: 3053
Blocpdb> 26 atoms in block 131
Block first atom: 3076
Blocpdb> 19 atoms in block 132
Block first atom: 3102
Blocpdb> 19 atoms in block 133
Block first atom: 3121
Blocpdb> 26 atoms in block 134
Block first atom: 3140
Blocpdb> 28 atoms in block 135
Block first atom: 3166
Blocpdb> 24 atoms in block 136
Block first atom: 3194
Blocpdb> 25 atoms in block 137
Block first atom: 3218
Blocpdb> 24 atoms in block 138
Block first atom: 3243
Blocpdb> 24 atoms in block 139
Block first atom: 3267
Blocpdb> 29 atoms in block 140
Block first atom: 3291
Blocpdb> 23 atoms in block 141
Block first atom: 3320
Blocpdb> 21 atoms in block 142
Block first atom: 3343
Blocpdb> 30 atoms in block 143
Block first atom: 3364
Blocpdb> 23 atoms in block 144
Block first atom: 3394
Blocpdb> 19 atoms in block 145
Block first atom: 3417
Blocpdb> 21 atoms in block 146
Block first atom: 3436
Blocpdb> 22 atoms in block 147
Block first atom: 3457
Blocpdb> 24 atoms in block 148
Block first atom: 3479
Blocpdb> 21 atoms in block 149
Block first atom: 3503
Blocpdb> 23 atoms in block 150
Block first atom: 3524
Blocpdb> 5 atoms in block 151
Block first atom: 3547
Blocpdb> 27 atoms in block 152
Block first atom: 3552
Blocpdb> 27 atoms in block 153
Block first atom: 3579
Blocpdb> 25 atoms in block 154
Block first atom: 3606
Blocpdb> 13 atoms in block 155
Block first atom: 3631
Blocpdb> 21 atoms in block 156
Block first atom: 3644
Blocpdb> 27 atoms in block 157
Block first atom: 3665
Blocpdb> 24 atoms in block 158
Block first atom: 3692
Blocpdb> 6 atoms in block 159
Block first atom: 3715
Blocpdb> 159 blocks.
Blocpdb> At most, 33 atoms in each of them.
Blocpdb> At least, 5 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> 1409389 matrix lines read.
Prepmat> Matrix order = 11163
Prepmat> Matrix trace = 3082520.0000
Prepmat> Last element read: 11163 11163 202.4771
Prepmat> 12721 lines saved.
Prepmat> 11034 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: 3721
RTB> Total mass = 3721.0000
RTB> Number of atoms found in matrix: 3721
RTB> Number of blocks = 159
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 203822.7377
RTB> 58311 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 = 954
Diagstd> Nb of non-zero elements: 58311
Diagstd> Projected matrix trace = 203822.7377
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 954 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 203822.7377
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 2.0336848 2.6565008 2.9057825 6.5303501
6.7610906 7.2063032 8.5689682 9.6716681 10.0092222
10.3688501 11.9098448 12.7203208 13.5467702 14.3447763
15.5030174 15.9740512 16.4559612 17.2918853 17.9846750
18.7526238 19.0023077 20.3489473 20.7451899 21.1372640
21.7046986 22.2325804 23.4508663 23.8592536 24.3253185
24.5146911 25.2877345 26.0105423 26.5884641 27.7608150
28.0854127 28.4592118 29.1909807 30.3472652 30.8467219
30.9637086 31.3803889 31.7878822 32.3104032 33.3499912
33.6348241 34.3370136 34.7830482 36.1996881 36.4562498
37.4952180 37.8375327 38.1235747 38.9393397 40.1743342
40.7646560 41.6945373 41.8923290 42.0993796 42.5799239
43.1381200 43.9777904 44.2763805 45.1175848 45.6926881
46.1838906 46.5609861 47.2396029 47.8626255 49.1387552
49.4189969 50.2389369 50.4577290 50.7309863 51.1741024
51.7220826 52.4190470 53.0371988 53.3700498 54.1175842
54.6588317 54.8317614 55.2214829 56.1111866 56.5208289
56.6652042 57.5234915 58.1671510 58.8946235 59.5439668
59.9243887 60.0586268 60.5305354 60.8068085 61.2445890
61.9370079 62.6675005 63.2630387 63.4160884 64.1496694
64.2062559
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034332 0.0034334 0.0034334 0.0034335
0.0034336 154.8592309 176.9906229 185.1087012 277.5003348
282.3603142 291.5087161 317.8773220 337.7115955 343.5543450
349.6717758 374.7557725 387.2971599 399.6806862 411.2843374
427.5662312 434.0130778 440.5111524 451.5610280 460.5179653
470.2472889 473.3675171 489.8535428 494.5998586 499.2518308
505.9087143 512.0238794 525.8655559 530.4246598 535.5802430
537.6609469 546.0724188 553.8217193 559.9405324 572.1519555
575.4872221 579.3042493 586.7047759 598.2119163 603.1145273
604.2571057 608.3092791 612.2461712 617.2576326 627.1091562
629.7814445 636.3214170 640.4409593 653.3527066 655.6639052
664.9411674 667.9695799 670.4896652 677.6252364 688.2870910
693.3254964 701.1886207 702.8498118 704.5845702 708.5944078
713.2238989 720.1317890 722.5723449 729.4041025 734.0381544
737.9731112 740.9797935 746.3600744 751.2656621 761.2150318
763.3825762 769.6893912 771.3635810 773.4494472 776.8199979
780.9680770 786.2123125 790.8344319 793.3121108 798.8486049
802.8334385 804.1024377 806.9549921 813.4296654 816.3935060
817.4355278 823.6029612 828.1979989 833.3608710 837.9423918
840.6149055 841.5559195 844.8556988 846.7815462 849.8242949
854.6147637 859.6397060 863.7146867 864.7588306 869.7461027
870.1296205
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3721
Rtb_to_modes> Number of blocs = 159
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: 9.9897E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9957E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9966E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.034
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.657
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.906
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.530
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.761
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.206
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.569
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.672
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.01
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.91
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.72
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.55
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.34
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.50
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.97
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.46
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.29
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.98
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 18.75
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.70
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.23
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 23.86
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.33
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 24.51
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.29
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.01
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.59
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.09
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 30.85
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 30.96
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 31.38
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 31.79
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 32.31
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 33.63
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 34.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 34.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 36.20
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 37.50
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.12
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 38.94
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 40.17
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 40.76
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 41.69
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 41.89
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 42.10
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 42.58
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 43.14
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 43.98
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 44.28
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 45.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 45.69
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 46.18
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 46.56
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 47.24
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 47.86
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 49.14
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 49.42
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 50.24
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 50.46
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 50.73
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 51.17
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 51.72
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 52.42
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 53.04
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 53.37
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 54.12
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 54.66
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 54.83
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 55.22
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 56.11
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 56.52
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 56.67
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 57.52
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 58.17
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.89
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 59.54
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 59.92
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 60.06
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 60.53
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 60.81
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 61.24
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 61.94
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 62.67
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.26
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 63.42
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 64.21
Rtb_to_modes> 106 vectors, with 954 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 1.00001 1.00001 1.00001 1.00001
1.00000 0.99999 0.99999 0.99999 0.99999
0.99996 1.00001 0.99999 0.99999 0.99998
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 1.00000 0.99997
0.99997 0.99999 0.99998 1.00001 0.99998
1.00000 0.99997 1.00001 1.00002 0.99998
0.99999 1.00000 1.00001 1.00001 1.00000
1.00001 0.99998 1.00001 0.99999 1.00001
0.99997 0.99999 0.99999 1.00000 1.00001
0.99998 0.99999 0.99998 0.99999 1.00001
1.00003 0.99999 0.99999 1.00000 0.99999
1.00001 0.99997 1.00000 1.00000 0.99999
1.00000 0.99998 0.99998 1.00002 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 0.99998 0.99999 1.00001 1.00002
1.00002 1.00002 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 0.99999 0.99999
1.00001 1.00000 1.00001 1.00002 0.99999
1.00000 0.99999 1.00000 0.99998 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 66978 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 1.00001 1.00001 1.00001 1.00001
1.00000 0.99999 0.99999 0.99999 0.99999
0.99996 1.00001 0.99999 0.99999 0.99998
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 1.00000 0.99997
0.99997 0.99999 0.99998 1.00001 0.99998
1.00000 0.99997 1.00001 1.00002 0.99998
0.99999 1.00000 1.00001 1.00001 1.00000
1.00001 0.99998 1.00001 0.99999 1.00001
0.99997 0.99999 0.99999 1.00000 1.00001
0.99998 0.99999 0.99998 0.99999 1.00001
1.00003 0.99999 0.99999 1.00000 0.99999
1.00001 0.99997 1.00000 1.00000 0.99999
1.00000 0.99998 0.99998 1.00002 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 0.99998 0.99999 1.00001 1.00002
1.00002 1.00002 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 0.99999 0.99999
1.00001 1.00000 1.00001 1.00002 0.99999
1.00000 0.99999 1.00000 0.99998 1.00000
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> 2403271938581017215.eigenfacs
Openam> file on opening on unit 10:
2403271938581017215.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403271938581017215.atom
Openam> file on opening on unit 11:
2403271938581017215.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 = 471
First residue number = 308
Last residue number = 11
Number of atoms found = 3721
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-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: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 18.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 23.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 24.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 30.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 30.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 31.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 31.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 32.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 33.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 34.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 34.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 36.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 37.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 38.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 40.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 40.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 41.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 41.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 42.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 42.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 43.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 43.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 44.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 45.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 45.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 46.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 46.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 47.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 47.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 49.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 49.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 50.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 50.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 50.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 51.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 51.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 52.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 53.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 53.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 54.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 54.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 54.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 55.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 56.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 56.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 56.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 57.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 58.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 59.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 59.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 60.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 60.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 60.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 61.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 61.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 62.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 63.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 64.21
Bfactors> 106 vectors, 11163 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 : 2.034000
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= 0.620 for 479 C-alpha atoms.
Bfactors> = 0.019 +/- 0.02
Bfactors> = 23.289 +/- 9.80
Bfactors> Shiftng-fct= 23.269
Bfactors> Scaling-fct= 537.555
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403271938581017215 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=0
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=100
2403271938581017215.eigenfacs
2403271938581017215.atom
making animated gifs
11 models are in 2403271938581017215.7.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 2403271938581017215.7.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 2403271938581017215.7.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 2403271938581017215 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=0
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=100
2403271938581017215.eigenfacs
2403271938581017215.atom
making animated gifs
11 models are in 2403271938581017215.8.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 2403271938581017215.8.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 2403271938581017215.8.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 2403271938581017215 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=0
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=100
2403271938581017215.eigenfacs
2403271938581017215.atom
making animated gifs
11 models are in 2403271938581017215.9.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 2403271938581017215.9.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 2403271938581017215.9.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 2403271938581017215 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=0
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=100
2403271938581017215.eigenfacs
2403271938581017215.atom
making animated gifs
11 models are in 2403271938581017215.10.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 2403271938581017215.10.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 2403271938581017215.10.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 2403271938581017215 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=-20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=0
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=20
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=40
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=60
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=80
2403271938581017215.eigenfacs
2403271938581017215.atom
calculating perturbed structure for DQ=100
2403271938581017215.eigenfacs
2403271938581017215.atom
making animated gifs
11 models are in 2403271938581017215.11.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 2403271938581017215.11.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 2403271938581017215.11.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
2403271938581017215.10.pdb
2403271938581017215.11.pdb
2403271938581017215.7.pdb
2403271938581017215.8.pdb
2403271938581017215.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.881s
user 0m16.804s
sys 0m0.076s
../../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: 2403271938581017215.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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