*** 3ZXF ***
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 = 2403281306111137963.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 2403281306111137963.atom to be opened.
Openam> File opened: 2403281306111137963.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 = 271
First residue number = 1
Last residue number = 135
Number of atoms found = 2191
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 3.232652 +/- 12.804987 From: -26.349000 To: 32.247000
= -20.572904 +/- 8.356948 From: -41.745000 To: 1.378000
= 17.855409 +/- 12.982131 From: -12.371000 To: 49.221000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.7444 % Filled.
Pdbmat> 808991 non-zero elements.
Pdbmat> 88440 atom-atom interactions.
Pdbmat> Number per atom= 80.73 +/- 24.17
Maximum number = 128
Minimum number = 16
Pdbmat> Matrix trace = 1.768800E+06
Pdbmat> Larger element = 514.773
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
271 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403281306111137963.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403281306111137963.atom to be opened.
Openam> file on opening on unit 11:
2403281306111137963.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2191 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 271 residues.
Blocpdb> 14 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 15
Blocpdb> 19 atoms in block 3
Block first atom: 29
Blocpdb> 12 atoms in block 4
Block first atom: 48
Blocpdb> 15 atoms in block 5
Block first atom: 60
Blocpdb> 13 atoms in block 6
Block first atom: 75
Blocpdb> 19 atoms in block 7
Block first atom: 88
Blocpdb> 11 atoms in block 8
Block first atom: 107
Blocpdb> 14 atoms in block 9
Block first atom: 118
Blocpdb> 19 atoms in block 10
Block first atom: 132
Blocpdb> 19 atoms in block 11
Block first atom: 151
Blocpdb> 12 atoms in block 12
Block first atom: 170
Blocpdb> 14 atoms in block 13
Block first atom: 182
Blocpdb> 15 atoms in block 14
Block first atom: 196
Blocpdb> 11 atoms in block 15
Block first atom: 211
Blocpdb> 22 atoms in block 16
Block first atom: 222
Blocpdb> 17 atoms in block 17
Block first atom: 244
Blocpdb> 16 atoms in block 18
Block first atom: 261
Blocpdb> 8 atoms in block 19
Block first atom: 277
Blocpdb> 13 atoms in block 20
Block first atom: 285
Blocpdb> 18 atoms in block 21
Block first atom: 298
Blocpdb> 10 atoms in block 22
Block first atom: 316
Blocpdb> 13 atoms in block 23
Block first atom: 326
Blocpdb> 13 atoms in block 24
Block first atom: 339
Blocpdb> 21 atoms in block 25
Block first atom: 352
Blocpdb> 15 atoms in block 26
Block first atom: 373
Blocpdb> 19 atoms in block 27
Block first atom: 388
Blocpdb> 15 atoms in block 28
Block first atom: 407
Blocpdb> 15 atoms in block 29
Block first atom: 422
Blocpdb> 14 atoms in block 30
Block first atom: 437
Blocpdb> 19 atoms in block 31
Block first atom: 451
Blocpdb> 15 atoms in block 32
Block first atom: 470
Blocpdb> 18 atoms in block 33
Block first atom: 485
Blocpdb> 10 atoms in block 34
Block first atom: 503
Blocpdb> 18 atoms in block 35
Block first atom: 513
Blocpdb> 20 atoms in block 36
Block first atom: 531
Blocpdb> 20 atoms in block 37
Block first atom: 551
Blocpdb> 11 atoms in block 38
Block first atom: 571
Blocpdb> 11 atoms in block 39
Block first atom: 582
Blocpdb> 18 atoms in block 40
Block first atom: 593
Blocpdb> 20 atoms in block 41
Block first atom: 611
Blocpdb> 13 atoms in block 42
Block first atom: 631
Blocpdb> 18 atoms in block 43
Block first atom: 644
Blocpdb> 16 atoms in block 44
Block first atom: 662
Blocpdb> 24 atoms in block 45
Block first atom: 678
Blocpdb> 13 atoms in block 46
Block first atom: 702
Blocpdb> 14 atoms in block 47
Block first atom: 715
Blocpdb> 12 atoms in block 48
Block first atom: 729
Blocpdb> 20 atoms in block 49
Block first atom: 741
Blocpdb> 12 atoms in block 50
Block first atom: 761
Blocpdb> 11 atoms in block 51
Block first atom: 773
Blocpdb> 13 atoms in block 52
Block first atom: 784
Blocpdb> 21 atoms in block 53
Block first atom: 797
Blocpdb> 20 atoms in block 54
Block first atom: 818
Blocpdb> 33 atoms in block 55
Block first atom: 838
Blocpdb> 21 atoms in block 56
Block first atom: 871
Blocpdb> 15 atoms in block 57
Block first atom: 892
Blocpdb> 13 atoms in block 58
Block first atom: 907
Blocpdb> 29 atoms in block 59
Block first atom: 920
Blocpdb> 19 atoms in block 60
Block first atom: 949
Blocpdb> 16 atoms in block 61
Block first atom: 968
Blocpdb> 11 atoms in block 62
Block first atom: 984
Blocpdb> 12 atoms in block 63
Block first atom: 995
Blocpdb> 16 atoms in block 64
Block first atom: 1007
Blocpdb> 16 atoms in block 65
Block first atom: 1023
Blocpdb> 13 atoms in block 66
Block first atom: 1039
Blocpdb> 19 atoms in block 67
Block first atom: 1052
Blocpdb> 12 atoms in block 68
Block first atom: 1071
Blocpdb> 12 atoms in block 69
Block first atom: 1083
Blocpdb> 14 atoms in block 70
Block first atom: 1095
Blocpdb> 15 atoms in block 71
Block first atom: 1109
Blocpdb> 17 atoms in block 72
Block first atom: 1124
Blocpdb> 15 atoms in block 73
Block first atom: 1141
Blocpdb> 14 atoms in block 74
Block first atom: 1156
Blocpdb> 16 atoms in block 75
Block first atom: 1170
Blocpdb> 12 atoms in block 76
Block first atom: 1186
Blocpdb> 18 atoms in block 77
Block first atom: 1198
Blocpdb> 11 atoms in block 78
Block first atom: 1216
Blocpdb> 22 atoms in block 79
Block first atom: 1227
Blocpdb> 19 atoms in block 80
Block first atom: 1249
Blocpdb> 15 atoms in block 81
Block first atom: 1268
Blocpdb> 15 atoms in block 82
Block first atom: 1283
Blocpdb> 14 atoms in block 83
Block first atom: 1298
Blocpdb> 13 atoms in block 84
Block first atom: 1312
Blocpdb> 17 atoms in block 85
Block first atom: 1325
Blocpdb> 21 atoms in block 86
Block first atom: 1342
Blocpdb> 15 atoms in block 87
Block first atom: 1363
Blocpdb> 16 atoms in block 88
Block first atom: 1378
Blocpdb> 13 atoms in block 89
Block first atom: 1394
Blocpdb> 18 atoms in block 90
Block first atom: 1407
Blocpdb> 10 atoms in block 91
Block first atom: 1425
Blocpdb> 13 atoms in block 92
Block first atom: 1435
Blocpdb> 13 atoms in block 93
Block first atom: 1448
Blocpdb> 21 atoms in block 94
Block first atom: 1461
Blocpdb> 15 atoms in block 95
Block first atom: 1482
Blocpdb> 19 atoms in block 96
Block first atom: 1497
Blocpdb> 15 atoms in block 97
Block first atom: 1516
Blocpdb> 15 atoms in block 98
Block first atom: 1531
Blocpdb> 14 atoms in block 99
Block first atom: 1546
Blocpdb> 19 atoms in block 100
Block first atom: 1560
Blocpdb> 15 atoms in block 101
Block first atom: 1579
Blocpdb> 18 atoms in block 102
Block first atom: 1594
Blocpdb> 10 atoms in block 103
Block first atom: 1612
Blocpdb> 18 atoms in block 104
Block first atom: 1622
Blocpdb> 31 atoms in block 105
Block first atom: 1640
Blocpdb> 20 atoms in block 106
Block first atom: 1671
Blocpdb> 11 atoms in block 107
Block first atom: 1691
Blocpdb> 11 atoms in block 108
Block first atom: 1702
Blocpdb> 18 atoms in block 109
Block first atom: 1713
Blocpdb> 20 atoms in block 110
Block first atom: 1731
Blocpdb> 13 atoms in block 111
Block first atom: 1751
Blocpdb> 18 atoms in block 112
Block first atom: 1764
Blocpdb> 16 atoms in block 113
Block first atom: 1782
Blocpdb> 16 atoms in block 114
Block first atom: 1798
Blocpdb> 13 atoms in block 115
Block first atom: 1814
Blocpdb> 14 atoms in block 116
Block first atom: 1827
Blocpdb> 20 atoms in block 117
Block first atom: 1841
Blocpdb> 20 atoms in block 118
Block first atom: 1861
Blocpdb> 12 atoms in block 119
Block first atom: 1881
Blocpdb> 11 atoms in block 120
Block first atom: 1893
Blocpdb> 13 atoms in block 121
Block first atom: 1904
Blocpdb> 21 atoms in block 122
Block first atom: 1917
Blocpdb> 20 atoms in block 123
Block first atom: 1938
Blocpdb> 22 atoms in block 124
Block first atom: 1958
Blocpdb> 21 atoms in block 125
Block first atom: 1980
Blocpdb> 15 atoms in block 126
Block first atom: 2001
Blocpdb> 13 atoms in block 127
Block first atom: 2016
Blocpdb> 18 atoms in block 128
Block first atom: 2029
Blocpdb> 19 atoms in block 129
Block first atom: 2047
Blocpdb> 16 atoms in block 130
Block first atom: 2066
Blocpdb> 11 atoms in block 131
Block first atom: 2082
Blocpdb> 12 atoms in block 132
Block first atom: 2093
Blocpdb> 16 atoms in block 133
Block first atom: 2105
Blocpdb> 16 atoms in block 134
Block first atom: 2121
Blocpdb> 13 atoms in block 135
Block first atom: 2137
Blocpdb> 30 atoms in block 136
Block first atom: 2150
Blocpdb> 12 atoms in block 137
Block first atom: 2179
Blocpdb> 137 blocks.
Blocpdb> At most, 33 atoms in each of them.
Blocpdb> At least, 8 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> 809128 matrix lines read.
Prepmat> Matrix order = 6573
Prepmat> Matrix trace = 1768800.0000
Prepmat> Last element read: 6573 6573 247.0679
Prepmat> 9454 lines saved.
Prepmat> 8012 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: 2191
RTB> Total mass = 2191.0000
RTB> Number of atoms found in matrix: 2191
RTB> Number of blocks = 137
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 186137.7639
RTB> 49821 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 = 822
Diagstd> Nb of non-zero elements: 49821
Diagstd> Projected matrix trace = 186137.7639
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 822 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 186137.7639
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 0.4104777 0.7454826 1.9399125 2.2447556
2.5863057 3.1101017 5.9541371 7.5435948 7.9070045
8.5974517 9.0053191 10.0417665 10.3196844 10.5281457
11.9355452 12.5691008 14.1045738 14.7621400 16.3397556
17.3006085 17.7003785 18.6836094 19.7565931 20.3278671
21.5582068 22.4130992 23.8346462 24.0453469 24.2978786
25.0565739 25.4633094 26.6436526 27.4953577 28.3201576
29.0185205 29.8194097 30.1317376 30.7929342 31.4043572
32.2338560 32.9753571 34.2521510 34.5368171 34.9129216
35.3813715 35.4604238 37.2186540 37.9729913 38.6664570
39.3579828 40.2557159 41.7241694 42.5208977 43.3012953
43.8379518 44.6828491 45.1043395 45.9801216 46.2365173
46.6050034 47.5185492 47.9764120 48.6523703 50.1426808
50.5720295 51.1755017 51.7063881 52.5446032 53.3312852
53.8378568 54.6272590 54.9021496 56.2861317 57.1817251
57.6556592 57.8934675 58.4720302 58.9890607 59.6432500
61.1759440 61.7548260 62.4704922 63.2203683 63.4112140
63.7559348 64.1917752 65.8486198 66.4277196 67.0267612
67.6786229 68.7530468 69.5382929 69.8898389 70.7394355
71.3057976 71.8221900 72.0701897 73.7220957 74.6102029
75.0737689
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034329 0.0034333 0.0034343 0.0034345
0.0034349 69.5728932 93.7592289 151.2468548 162.6970992
174.6365772 191.5060841 264.9748743 298.2527505 305.3523539
318.4052001 325.8703396 344.1124140 348.8417753 352.3475230
375.1599005 384.9881697 407.8263324 417.2246319 438.9530372
451.6749134 456.8635994 469.3811770 482.6711137 489.5997489
504.1985552 514.0983822 530.1510616 532.4892000 535.2780804
543.5708064 547.9648540 560.5213525 569.4098391 577.8872504
584.9690838 592.9864932 596.0838679 602.5884692 608.5415470
616.5260213 623.5769223 635.5346084 638.1700752 641.6354893
645.9257707 646.6469617 662.4843326 669.1641795 675.2466995
681.2581268 688.9838746 701.4377421 708.1030947 714.5715546
718.9859563 725.8814683 729.2970288 736.3432974 738.3934530
741.3299605 748.5604315 752.1581455 757.4383357 768.9516887
772.2367612 776.8306186 780.8495803 787.1533326 793.0239528
796.7813527 802.6015335 804.6183906 814.6967456 821.1526655
824.5485857 826.2473154 830.3656337 834.0287483 838.6406906
849.3479054 853.3569534 858.2874143 863.4233536 864.7255955
867.0728530 870.0314933 881.1880899 885.0543727 889.0361024
893.3487556 900.4119592 905.5392781 907.8253380 913.3265348
916.9754349 920.2897859 921.8772824 932.3825059 937.9817550
940.8911638
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2191
Rtb_to_modes> Number of blocs = 137
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: 9.9925E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9959E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4105
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.7455
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.940
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.245
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.586
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.110
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.954
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.544
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.907
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.597
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.005
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.04
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 10.53
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.94
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 14.10
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.76
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.34
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.70
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.68
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 19.76
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.33
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.56
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.41
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.83
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.30
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.06
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.46
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.64
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 27.50
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 28.32
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 29.02
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.79
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 31.40
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 32.98
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 34.25
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 34.54
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 34.91
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 35.38
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 35.46
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 37.22
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.36
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 40.26
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 41.72
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 42.52
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 43.30
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 43.84
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 44.68
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 45.10
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 45.98
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 46.24
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 46.61
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 47.52
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 47.98
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 48.65
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.14
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 50.57
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 51.18
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 51.71
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 53.33
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 53.84
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 54.63
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 54.90
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.29
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 57.18
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 57.66
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 57.89
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 58.47
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 58.99
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 59.64
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 61.18
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 61.75
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.22
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 63.41
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 63.76
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 64.19
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 65.85
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 66.43
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 67.03
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 67.68
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 68.75
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.54
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.89
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.31
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.82
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 72.07
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 73.72
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 74.61
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 75.07
Rtb_to_modes> 106 vectors, with 822 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 0.99998 1.00000 1.00000
1.00000 0.99996 0.99999 1.00001 1.00003
1.00001 1.00002 1.00000 0.99998 0.99998
1.00004 0.99999 1.00003 1.00001 1.00003
1.00000 1.00003 0.99999 0.99999 0.99997
1.00001 1.00002 1.00000 0.99999 1.00001
0.99993 1.00001 0.99999 0.99999 1.00001
1.00002 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00003 0.99999 1.00000 1.00000 1.00002
0.99999 1.00002 1.00000 1.00001 1.00001
1.00001 1.00002 0.99999 0.99999 0.99999
1.00005 0.99999 0.99998 1.00000 1.00000
0.99999 0.99998 1.00001 0.99998 0.99996
1.00001 1.00002 0.99999 0.99998 1.00000
1.00000 1.00000 1.00000 0.99998 0.99998
1.00002 1.00003 1.00001 1.00000 0.99998
1.00000 1.00001 0.99999 1.00000 1.00002
1.00000 0.99998 0.99999 1.00000 1.00000
1.00000 1.00002 0.99998 0.99997 0.99999
0.99998 1.00000 1.00003 1.00000 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 39438 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 0.99998 1.00000 1.00000
1.00000 0.99996 0.99999 1.00001 1.00003
1.00001 1.00002 1.00000 0.99998 0.99998
1.00004 0.99999 1.00003 1.00001 1.00003
1.00000 1.00003 0.99999 0.99999 0.99997
1.00001 1.00002 1.00000 0.99999 1.00001
0.99993 1.00001 0.99999 0.99999 1.00001
1.00002 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00003 0.99999 1.00000 1.00000 1.00002
0.99999 1.00002 1.00000 1.00001 1.00001
1.00001 1.00002 0.99999 0.99999 0.99999
1.00005 0.99999 0.99998 1.00000 1.00000
0.99999 0.99998 1.00001 0.99998 0.99996
1.00001 1.00002 0.99999 0.99998 1.00000
1.00000 1.00000 1.00000 0.99998 0.99998
1.00002 1.00003 1.00001 1.00000 0.99998
1.00000 1.00001 0.99999 1.00000 1.00002
1.00000 0.99998 0.99999 1.00000 1.00000
1.00000 1.00002 0.99998 0.99997 0.99999
0.99998 1.00000 1.00003 1.00000 0.99999
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> 2403281306111137963.eigenfacs
Openam> file on opening on unit 10:
2403281306111137963.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403281306111137963.atom
Openam> file on opening on unit 11:
2403281306111137963.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 = 271
First residue number = 1
Last residue number = 135
Number of atoms found = 2191
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9959E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.245
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 14.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 27.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 28.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 29.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 31.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 32.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 34.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 34.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 34.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 35.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 35.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 37.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 40.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 41.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 42.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 43.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 43.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 44.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 45.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 45.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 46.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 46.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 47.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 47.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 48.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 50.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 51.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 51.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 53.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 53.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 54.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 54.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 57.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 57.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 57.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 58.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 58.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 59.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 61.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 61.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 63.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 63.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 64.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 65.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 66.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 67.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 67.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 68.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 72.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 73.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 74.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 75.07
Bfactors> 106 vectors, 6573 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 : 0.410500
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= 0.295 for 278 C-alpha atoms.
Bfactors> = 0.062 +/- 0.37
Bfactors> = 19.548 +/- 7.36
Bfactors> Shiftng-fct= 19.485
Bfactors> Scaling-fct= 20.076
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403281306111137963 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=0
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=100
2403281306111137963.eigenfacs
2403281306111137963.atom
making animated gifs
11 models are in 2403281306111137963.7.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 2403281306111137963.7.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 2403281306111137963.7.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 2403281306111137963 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=0
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=100
2403281306111137963.eigenfacs
2403281306111137963.atom
making animated gifs
11 models are in 2403281306111137963.8.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 2403281306111137963.8.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 2403281306111137963.8.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 2403281306111137963 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=0
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=100
2403281306111137963.eigenfacs
2403281306111137963.atom
making animated gifs
11 models are in 2403281306111137963.9.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 2403281306111137963.9.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 2403281306111137963.9.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 2403281306111137963 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=0
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=100
2403281306111137963.eigenfacs
2403281306111137963.atom
making animated gifs
11 models are in 2403281306111137963.10.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 2403281306111137963.10.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 2403281306111137963.10.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 2403281306111137963 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=-20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=0
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=20
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=40
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=60
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=80
2403281306111137963.eigenfacs
2403281306111137963.atom
calculating perturbed structure for DQ=100
2403281306111137963.eigenfacs
2403281306111137963.atom
making animated gifs
11 models are in 2403281306111137963.11.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 2403281306111137963.11.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 2403281306111137963.11.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
2403281306111137963.10.pdb
2403281306111137963.11.pdb
2403281306111137963.7.pdb
2403281306111137963.8.pdb
2403281306111137963.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.650s
user 0m9.590s
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: 2403281306111137963.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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