*** ***
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 = 2401311143291076372.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 2401311143291076372.atom to be opened.
Openam> File opened: 2401311143291076372.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 = 640
First residue number = 1
Last residue number = 320
Number of atoms found = 4846
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 20.628143 +/- 14.490756 From: -18.038000 To: 59.796000
= 49.177323 +/- 14.760887 From: 10.524000 To: 86.925000
= 67.151629 +/- 18.020085 From: 20.925000 To: 107.975000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.7301 % Filled.
Pdbmat> 1828435 non-zero elements.
Pdbmat> 199961 atom-atom interactions.
Pdbmat> Number per atom= 82.53 +/- 21.88
Maximum number = 131
Minimum number = 15
Pdbmat> Matrix trace = 3.999220E+06
Pdbmat> Larger element = 506.106
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
640 non-zero elements, NRBL set to 4
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 = 2401311143291076372.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2401311143291076372.atom to be opened.
Openam> file on opening on unit 11:
2401311143291076372.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4846 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 640 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 33 atoms in block 2
Block first atom: 28
Blocpdb> 28 atoms in block 3
Block first atom: 61
Blocpdb> 22 atoms in block 4
Block first atom: 89
Blocpdb> 28 atoms in block 5
Block first atom: 111
Blocpdb> 29 atoms in block 6
Block first atom: 139
Blocpdb> 29 atoms in block 7
Block first atom: 168
Blocpdb> 31 atoms in block 8
Block first atom: 197
Blocpdb> 27 atoms in block 9
Block first atom: 228
Blocpdb> 30 atoms in block 10
Block first atom: 255
Blocpdb> 28 atoms in block 11
Block first atom: 285
Blocpdb> 30 atoms in block 12
Block first atom: 313
Blocpdb> 38 atoms in block 13
Block first atom: 343
Blocpdb> 26 atoms in block 14
Block first atom: 381
Blocpdb> 31 atoms in block 15
Block first atom: 407
Blocpdb> 27 atoms in block 16
Block first atom: 438
Blocpdb> 36 atoms in block 17
Block first atom: 465
Blocpdb> 34 atoms in block 18
Block first atom: 501
Blocpdb> 36 atoms in block 19
Block first atom: 535
Blocpdb> 32 atoms in block 20
Block first atom: 571
Blocpdb> 37 atoms in block 21
Block first atom: 603
Blocpdb> 32 atoms in block 22
Block first atom: 640
Blocpdb> 36 atoms in block 23
Block first atom: 672
Blocpdb> 37 atoms in block 24
Block first atom: 708
Blocpdb> 28 atoms in block 25
Block first atom: 745
Blocpdb> 32 atoms in block 26
Block first atom: 773
Blocpdb> 27 atoms in block 27
Block first atom: 805
Blocpdb> 28 atoms in block 28
Block first atom: 832
Blocpdb> 20 atoms in block 29
Block first atom: 860
Blocpdb> 35 atoms in block 30
Block first atom: 880
Blocpdb> 30 atoms in block 31
Block first atom: 915
Blocpdb> 34 atoms in block 32
Block first atom: 945
Blocpdb> 26 atoms in block 33
Block first atom: 979
Blocpdb> 22 atoms in block 34
Block first atom: 1005
Blocpdb> 25 atoms in block 35
Block first atom: 1027
Blocpdb> 45 atoms in block 36
Block first atom: 1052
Blocpdb> 33 atoms in block 37
Block first atom: 1097
Blocpdb> 24 atoms in block 38
Block first atom: 1130
Blocpdb> 23 atoms in block 39
Block first atom: 1154
Blocpdb> 30 atoms in block 40
Block first atom: 1177
Blocpdb> 33 atoms in block 41
Block first atom: 1207
Blocpdb> 27 atoms in block 42
Block first atom: 1240
Blocpdb> 32 atoms in block 43
Block first atom: 1267
Blocpdb> 37 atoms in block 44
Block first atom: 1299
Blocpdb> 34 atoms in block 45
Block first atom: 1336
Blocpdb> 34 atoms in block 46
Block first atom: 1370
Blocpdb> 33 atoms in block 47
Block first atom: 1404
Blocpdb> 35 atoms in block 48
Block first atom: 1437
Blocpdb> 33 atoms in block 49
Block first atom: 1472
Blocpdb> 28 atoms in block 50
Block first atom: 1505
Blocpdb> 33 atoms in block 51
Block first atom: 1533
Blocpdb> 35 atoms in block 52
Block first atom: 1566
Blocpdb> 27 atoms in block 53
Block first atom: 1601
Blocpdb> 29 atoms in block 54
Block first atom: 1628
Blocpdb> 25 atoms in block 55
Block first atom: 1657
Blocpdb> 38 atoms in block 56
Block first atom: 1682
Blocpdb> 30 atoms in block 57
Block first atom: 1720
Blocpdb> 33 atoms in block 58
Block first atom: 1750
Blocpdb> 29 atoms in block 59
Block first atom: 1783
Blocpdb> 28 atoms in block 60
Block first atom: 1812
Blocpdb> 24 atoms in block 61
Block first atom: 1840
Blocpdb> 31 atoms in block 62
Block first atom: 1864
Blocpdb> 31 atoms in block 63
Block first atom: 1895
Blocpdb> 30 atoms in block 64
Block first atom: 1926
Blocpdb> 34 atoms in block 65
Block first atom: 1956
Blocpdb> 33 atoms in block 66
Block first atom: 1990
Blocpdb> 26 atoms in block 67
Block first atom: 2023
Blocpdb> 30 atoms in block 68
Block first atom: 2049
Blocpdb> 28 atoms in block 69
Block first atom: 2079
Blocpdb> 25 atoms in block 70
Block first atom: 2107
Blocpdb> 28 atoms in block 71
Block first atom: 2132
Blocpdb> 27 atoms in block 72
Block first atom: 2160
Blocpdb> 38 atoms in block 73
Block first atom: 2187
Blocpdb> 33 atoms in block 74
Block first atom: 2225
Blocpdb> 22 atoms in block 75
Block first atom: 2258
Blocpdb> 25 atoms in block 76
Block first atom: 2280
Blocpdb> 26 atoms in block 77
Block first atom: 2305
Blocpdb> 37 atoms in block 78
Block first atom: 2331
Blocpdb> 28 atoms in block 79
Block first atom: 2368
Blocpdb> 28 atoms in block 80
Block first atom: 2396
Blocpdb> 27 atoms in block 81
Block first atom: 2424
Blocpdb> 33 atoms in block 82
Block first atom: 2451
Blocpdb> 28 atoms in block 83
Block first atom: 2484
Blocpdb> 22 atoms in block 84
Block first atom: 2512
Blocpdb> 28 atoms in block 85
Block first atom: 2534
Blocpdb> 29 atoms in block 86
Block first atom: 2562
Blocpdb> 29 atoms in block 87
Block first atom: 2591
Blocpdb> 31 atoms in block 88
Block first atom: 2620
Blocpdb> 27 atoms in block 89
Block first atom: 2651
Blocpdb> 30 atoms in block 90
Block first atom: 2678
Blocpdb> 28 atoms in block 91
Block first atom: 2708
Blocpdb> 30 atoms in block 92
Block first atom: 2736
Blocpdb> 38 atoms in block 93
Block first atom: 2766
Blocpdb> 26 atoms in block 94
Block first atom: 2804
Blocpdb> 31 atoms in block 95
Block first atom: 2830
Blocpdb> 27 atoms in block 96
Block first atom: 2861
Blocpdb> 36 atoms in block 97
Block first atom: 2888
Blocpdb> 34 atoms in block 98
Block first atom: 2924
Blocpdb> 36 atoms in block 99
Block first atom: 2958
Blocpdb> 32 atoms in block 100
Block first atom: 2994
Blocpdb> 37 atoms in block 101
Block first atom: 3026
Blocpdb> 32 atoms in block 102
Block first atom: 3063
Blocpdb> 36 atoms in block 103
Block first atom: 3095
Blocpdb> 37 atoms in block 104
Block first atom: 3131
Blocpdb> 28 atoms in block 105
Block first atom: 3168
Blocpdb> 32 atoms in block 106
Block first atom: 3196
Blocpdb> 27 atoms in block 107
Block first atom: 3228
Blocpdb> 28 atoms in block 108
Block first atom: 3255
Blocpdb> 20 atoms in block 109
Block first atom: 3283
Blocpdb> 35 atoms in block 110
Block first atom: 3303
Blocpdb> 30 atoms in block 111
Block first atom: 3338
Blocpdb> 34 atoms in block 112
Block first atom: 3368
Blocpdb> 26 atoms in block 113
Block first atom: 3402
Blocpdb> 22 atoms in block 114
Block first atom: 3428
Blocpdb> 25 atoms in block 115
Block first atom: 3450
Blocpdb> 45 atoms in block 116
Block first atom: 3475
Blocpdb> 33 atoms in block 117
Block first atom: 3520
Blocpdb> 24 atoms in block 118
Block first atom: 3553
Blocpdb> 23 atoms in block 119
Block first atom: 3577
Blocpdb> 30 atoms in block 120
Block first atom: 3600
Blocpdb> 33 atoms in block 121
Block first atom: 3630
Blocpdb> 27 atoms in block 122
Block first atom: 3663
Blocpdb> 32 atoms in block 123
Block first atom: 3690
Blocpdb> 37 atoms in block 124
Block first atom: 3722
Blocpdb> 34 atoms in block 125
Block first atom: 3759
Blocpdb> 34 atoms in block 126
Block first atom: 3793
Blocpdb> 33 atoms in block 127
Block first atom: 3827
Blocpdb> 35 atoms in block 128
Block first atom: 3860
Blocpdb> 33 atoms in block 129
Block first atom: 3895
Blocpdb> 28 atoms in block 130
Block first atom: 3928
Blocpdb> 33 atoms in block 131
Block first atom: 3956
Blocpdb> 35 atoms in block 132
Block first atom: 3989
Blocpdb> 27 atoms in block 133
Block first atom: 4024
Blocpdb> 29 atoms in block 134
Block first atom: 4051
Blocpdb> 25 atoms in block 135
Block first atom: 4080
Blocpdb> 38 atoms in block 136
Block first atom: 4105
Blocpdb> 30 atoms in block 137
Block first atom: 4143
Blocpdb> 33 atoms in block 138
Block first atom: 4173
Blocpdb> 29 atoms in block 139
Block first atom: 4206
Blocpdb> 28 atoms in block 140
Block first atom: 4235
Blocpdb> 24 atoms in block 141
Block first atom: 4263
Blocpdb> 31 atoms in block 142
Block first atom: 4287
Blocpdb> 31 atoms in block 143
Block first atom: 4318
Blocpdb> 30 atoms in block 144
Block first atom: 4349
Blocpdb> 34 atoms in block 145
Block first atom: 4379
Blocpdb> 33 atoms in block 146
Block first atom: 4413
Blocpdb> 26 atoms in block 147
Block first atom: 4446
Blocpdb> 30 atoms in block 148
Block first atom: 4472
Blocpdb> 28 atoms in block 149
Block first atom: 4502
Blocpdb> 25 atoms in block 150
Block first atom: 4530
Blocpdb> 28 atoms in block 151
Block first atom: 4555
Blocpdb> 27 atoms in block 152
Block first atom: 4583
Blocpdb> 38 atoms in block 153
Block first atom: 4610
Blocpdb> 33 atoms in block 154
Block first atom: 4648
Blocpdb> 22 atoms in block 155
Block first atom: 4681
Blocpdb> 25 atoms in block 156
Block first atom: 4703
Blocpdb> 26 atoms in block 157
Block first atom: 4728
Blocpdb> 37 atoms in block 158
Block first atom: 4754
Blocpdb> 28 atoms in block 159
Block first atom: 4791
Blocpdb> 28 atoms in block 160
Block first atom: 4818
Blocpdb> 160 blocks.
Blocpdb> At most, 45 atoms in each of them.
Blocpdb> At least, 20 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> 1828595 matrix lines read.
Prepmat> Matrix order = 14538
Prepmat> Matrix trace = 3999220.0000
Prepmat> Last element read: 14538 14538 126.0793
Prepmat> 12881 lines saved.
Prepmat> 11344 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: 4846
RTB> Total mass = 4846.0000
RTB> Number of atoms found in matrix: 4846
RTB> Number of blocks = 160
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 198832.7809
RTB> 52896 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 = 960
Diagstd> Nb of non-zero elements: 52896
Diagstd> Projected matrix trace = 198832.7809
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 960 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 198832.7809
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 0.6030697 0.9562622 1.2419148 1.6602388
2.0956882 2.1124304 3.4534296 3.8414473 4.0578464
4.6856813 4.9972678 5.5396018 6.1110287 7.0398003
7.5179230 7.7807358 8.1953301 8.5706454 9.1971294
10.2495516 10.7997738 12.5614460 12.9657512 13.3364073
13.7466714 14.1561688 14.3175704 14.7584925 15.6350364
16.7612132 18.2440749 18.8573312 19.4288897 21.2364562
21.3537000 21.5961305 22.6211840 23.6557581 23.7448183
24.3536452 25.0542899 25.9876288 26.5211094 26.7765745
27.3794971 28.1703377 28.4630975 29.1823267 29.6357285
30.1214170 30.4575076 31.2237950 31.8093065 31.9492471
32.4068315 32.5754632 33.3669155 34.1770905 34.3861151
35.2005593 35.6887680 36.1054525 36.5098225 36.7411662
37.5020280 37.9385500 38.2379617 38.5016208 39.4230638
40.0277748 40.7854302 40.8942672 41.1377637 41.3771040
41.6073409 42.0758904 43.1081325 43.2090942 44.0041533
44.6772148 45.6830972 46.0301922 46.5272333 47.5855358
47.6406911 48.2398027 48.7139674 49.4687741 49.6555085
50.3198209 50.8848031 51.5031890 52.3239351 52.4944164
53.2042694 53.5979819 54.1091899 54.4945543 55.0300819
55.1153366
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034335 0.0034336 0.0034340 0.0034341
0.0034346 84.3294036 106.1900392 121.0155500 139.9202444
157.2021972 157.8288826 201.7997328 212.8348403 218.7474911
235.0615821 242.7513154 255.5845250 268.4432218 288.1213567
297.7448208 302.9044222 310.8697791 317.9084294 329.3225189
347.6543858 356.8638943 384.8709205 391.0156336 396.5652954
402.6188055 408.5715732 410.8941371 417.1730835 429.3828837
444.5780380 463.8271893 471.5583021 478.6513320 500.4218951
501.8013766 504.6418367 516.4793319 528.1578214 529.1511030
535.8919924 543.5460320 553.5777260 559.2308531 561.9177989
568.2088766 576.3566477 579.3437955 586.6178012 591.1573365
595.9817753 599.2974932 606.7895933 612.4524564 613.7981777
618.1780294 619.7843130 627.2682580 634.8378676 636.7762200
644.2731943 648.7256324 652.5017436 656.1454796 658.2210228
665.0015492 668.8606470 671.4947900 673.8058644 681.8211467
687.0304788 693.5021377 694.4268354 696.4911781 698.5143395
700.4550339 704.3879823 712.9759567 713.8103838 720.3476023
725.8357015 733.9611129 736.7441134 740.7111711 749.0878656
749.5218653 754.2199953 757.9176672 763.7669375 765.2071108
770.3087366 774.6211119 779.3137535 785.4987162 786.7773269
792.0790419 795.0043390 798.7866468 801.6260703 805.5553007
806.1790578
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4846
Rtb_to_modes> Number of blocs = 160
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: 9.9946E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.6031
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9563
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.242
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.660
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.096
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.112
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.453
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.841
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.058
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.686
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.997
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.540
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.111
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.040
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.518
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.781
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.195
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.571
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.197
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.80
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.56
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.97
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.34
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.16
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.32
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.76
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.64
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.24
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.86
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 21.35
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 21.60
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 22.62
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.74
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.35
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 25.05
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.99
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 26.52
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 26.78
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 27.38
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.17
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 29.18
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 29.64
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 30.12
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.46
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 31.22
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.81
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.95
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.41
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 32.58
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.37
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.18
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 34.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 35.20
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 35.69
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 36.51
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 37.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 37.94
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 38.50
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 39.42
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 40.03
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 40.79
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 40.89
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 41.14
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 41.38
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 41.61
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 42.08
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 43.11
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 43.21
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 44.00
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 44.68
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 46.03
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 46.53
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 47.59
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 47.64
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 48.24
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 48.71
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 49.47
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 49.66
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 50.32
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 50.88
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.50
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.32
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 52.49
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.20
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 53.60
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 54.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 54.49
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 55.03
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 55.12
Rtb_to_modes> 106 vectors, with 960 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99998
1.00001 1.00001 1.00000 0.99997 1.00002
1.00001 1.00001 1.00000 1.00006 0.99997
1.00000 1.00002 1.00000 1.00001 0.99998
1.00002 0.99998 1.00001 1.00002 0.99998
1.00004 1.00002 1.00000 1.00001 1.00000
0.99999 1.00001 1.00000 1.00003 1.00000
1.00004 1.00000 0.99999 1.00001 1.00002
0.99999 1.00000 1.00000 0.99999 0.99999
1.00001 1.00000 0.99998 1.00000 1.00002
1.00000 0.99999 1.00001 1.00002 0.99999
1.00000 1.00000 1.00003 1.00002 0.99998
1.00001 1.00000 1.00000 1.00001 1.00003
0.99999 1.00000 1.00001 1.00001 1.00000
1.00001 0.99999 1.00002 1.00000 1.00000
1.00001 0.99998 1.00001 1.00001 0.99997
0.99999 1.00000 1.00001 1.00000 0.99999
1.00001 0.99998 1.00000 1.00000 0.99999
1.00001 1.00001 1.00001 0.99998 0.99998
1.00001 0.99999 1.00001 1.00001 1.00002
0.99997 1.00001 0.99998 0.99999 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 87228 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 0.99998
1.00001 1.00001 1.00000 0.99997 1.00002
1.00001 1.00001 1.00000 1.00006 0.99997
1.00000 1.00002 1.00000 1.00001 0.99998
1.00002 0.99998 1.00001 1.00002 0.99998
1.00004 1.00002 1.00000 1.00001 1.00000
0.99999 1.00001 1.00000 1.00003 1.00000
1.00004 1.00000 0.99999 1.00001 1.00002
0.99999 1.00000 1.00000 0.99999 0.99999
1.00001 1.00000 0.99998 1.00000 1.00002
1.00000 0.99999 1.00001 1.00002 0.99999
1.00000 1.00000 1.00003 1.00002 0.99998
1.00001 1.00000 1.00000 1.00001 1.00003
0.99999 1.00000 1.00001 1.00001 1.00000
1.00001 0.99999 1.00002 1.00000 1.00000
1.00001 0.99998 1.00001 1.00001 0.99997
0.99999 1.00000 1.00001 1.00000 0.99999
1.00001 0.99998 1.00000 1.00000 0.99999
1.00001 1.00001 1.00001 0.99998 0.99998
1.00001 0.99999 1.00001 1.00001 1.00002
0.99997 1.00001 0.99998 0.99999 1.00002
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000 0.000
Vector 6:-0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000-0.000 0.000 0.000 0.000-0.000
Vector 8: 0.000 0.000 0.000-0.000 0.000-0.000 0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000-0.000-0.000 0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401311143291076372.eigenfacs
Openam> file on opening on unit 10:
2401311143291076372.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401311143291076372.atom
Openam> file on opening on unit 11:
2401311143291076372.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 = 640
First residue number = 1
Last residue number = 320
Number of atoms found = 4846
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9946E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.686
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.571
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 21.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 22.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 25.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 26.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 26.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 27.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 29.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 29.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 30.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 31.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 32.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 34.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 35.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 35.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 36.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 37.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 37.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 38.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 39.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 40.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 40.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 40.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 41.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 41.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 41.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 42.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 43.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 43.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 44.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 44.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 46.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 46.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 47.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 47.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 48.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 48.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 49.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 49.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 50.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 50.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 52.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 53.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 54.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 54.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 55.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 55.12
Bfactors> 106 vectors, 14538 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 : 0.603100
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= 0.690 for 640 C-alpha atoms.
Bfactors> = 0.031 +/- 0.04
Bfactors> = 34.079 +/- 13.08
Bfactors> Shiftng-fct= 34.049
Bfactors> Scaling-fct= 353.394
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401311143291076372 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=0
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=100
2401311143291076372.eigenfacs
2401311143291076372.atom
making animated gifs
11 models are in 2401311143291076372.7.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 2401311143291076372.7.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 2401311143291076372.7.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 2401311143291076372 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=0
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=100
2401311143291076372.eigenfacs
2401311143291076372.atom
making animated gifs
11 models are in 2401311143291076372.8.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 2401311143291076372.8.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 2401311143291076372.8.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 2401311143291076372 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=0
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=100
2401311143291076372.eigenfacs
2401311143291076372.atom
making animated gifs
11 models are in 2401311143291076372.9.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 2401311143291076372.9.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 2401311143291076372.9.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 2401311143291076372 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=0
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=100
2401311143291076372.eigenfacs
2401311143291076372.atom
making animated gifs
11 models are in 2401311143291076372.10.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 2401311143291076372.10.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 2401311143291076372.10.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 2401311143291076372 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=-20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=0
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=20
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=40
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=60
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=80
2401311143291076372.eigenfacs
2401311143291076372.atom
calculating perturbed structure for DQ=100
2401311143291076372.eigenfacs
2401311143291076372.atom
making animated gifs
11 models are in 2401311143291076372.11.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 2401311143291076372.11.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 2401311143291076372.11.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
2401311143291076372.10.pdb
2401311143291076372.11.pdb
2401311143291076372.7.pdb
2401311143291076372.8.pdb
2401311143291076372.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.863s
user 0m20.746s
sys 0m0.096s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2401311143291076372.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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