*** CHAPERONE 1SVT ***
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 = 2404011519111875848.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 2404011519111875848.atom to be opened.
Openam> File opened: 2404011519111875848.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 = 524
First residue number = 2
Last residue number = 525
Number of atoms found = 3855
Mean number per residue = 7.4
Pdbmat> Coordinate statistics:
= 34.307768 +/- 11.011519 From: 7.527000 To: 64.442000
= -44.389170 +/- 13.373324 From: -77.863000 To: -12.866000
= -33.615532 +/- 23.987443 From: -85.198000 To: 5.634000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.0552 % Filled.
Pdbmat> 1374513 non-zero elements.
Pdbmat> 150172 atom-atom interactions.
Pdbmat> Number per atom= 77.91 +/- 20.82
Maximum number = 128
Minimum number = 13
Pdbmat> Matrix trace = 3.003440E+06
Pdbmat> Larger element = 493.740
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
524 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404011519111875848.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404011519111875848.atom to be opened.
Openam> file on opening on unit 11:
2404011519111875848.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3855 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 524 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 20
Blocpdb> 23 atoms in block 3
Block first atom: 44
Blocpdb> 24 atoms in block 4
Block first atom: 67
Blocpdb> 24 atoms in block 5
Block first atom: 91
Blocpdb> 23 atoms in block 6
Block first atom: 115
Blocpdb> 22 atoms in block 7
Block first atom: 138
Blocpdb> 21 atoms in block 8
Block first atom: 160
Blocpdb> 21 atoms in block 9
Block first atom: 181
Blocpdb> 22 atoms in block 10
Block first atom: 202
Blocpdb> 20 atoms in block 11
Block first atom: 224
Blocpdb> 23 atoms in block 12
Block first atom: 244
Blocpdb> 22 atoms in block 13
Block first atom: 267
Blocpdb> 23 atoms in block 14
Block first atom: 289
Blocpdb> 20 atoms in block 15
Block first atom: 312
Blocpdb> 22 atoms in block 16
Block first atom: 332
Blocpdb> 24 atoms in block 17
Block first atom: 354
Blocpdb> 17 atoms in block 18
Block first atom: 378
Blocpdb> 23 atoms in block 19
Block first atom: 395
Blocpdb> 26 atoms in block 20
Block first atom: 418
Blocpdb> 25 atoms in block 21
Block first atom: 444
Blocpdb> 29 atoms in block 22
Block first atom: 469
Blocpdb> 20 atoms in block 23
Block first atom: 498
Blocpdb> 22 atoms in block 24
Block first atom: 518
Blocpdb> 25 atoms in block 25
Block first atom: 540
Blocpdb> 18 atoms in block 26
Block first atom: 565
Blocpdb> 22 atoms in block 27
Block first atom: 583
Blocpdb> 18 atoms in block 28
Block first atom: 605
Blocpdb> 16 atoms in block 29
Block first atom: 623
Blocpdb> 21 atoms in block 30
Block first atom: 639
Blocpdb> 19 atoms in block 31
Block first atom: 660
Blocpdb> 22 atoms in block 32
Block first atom: 679
Blocpdb> 21 atoms in block 33
Block first atom: 701
Blocpdb> 20 atoms in block 34
Block first atom: 722
Blocpdb> 22 atoms in block 35
Block first atom: 742
Blocpdb> 17 atoms in block 36
Block first atom: 764
Blocpdb> 20 atoms in block 37
Block first atom: 781
Blocpdb> 23 atoms in block 38
Block first atom: 801
Blocpdb> 28 atoms in block 39
Block first atom: 824
Blocpdb> 20 atoms in block 40
Block first atom: 852
Blocpdb> 21 atoms in block 41
Block first atom: 872
Blocpdb> 17 atoms in block 42
Block first atom: 893
Blocpdb> 25 atoms in block 43
Block first atom: 910
Blocpdb> 22 atoms in block 44
Block first atom: 935
Blocpdb> 21 atoms in block 45
Block first atom: 957
Blocpdb> 19 atoms in block 46
Block first atom: 978
Blocpdb> 23 atoms in block 47
Block first atom: 997
Blocpdb> 18 atoms in block 48
Block first atom: 1020
Blocpdb> 20 atoms in block 49
Block first atom: 1038
Blocpdb> 21 atoms in block 50
Block first atom: 1058
Blocpdb> 19 atoms in block 51
Block first atom: 1079
Blocpdb> 24 atoms in block 52
Block first atom: 1098
Blocpdb> 20 atoms in block 53
Block first atom: 1122
Blocpdb> 21 atoms in block 54
Block first atom: 1142
Blocpdb> 22 atoms in block 55
Block first atom: 1163
Blocpdb> 24 atoms in block 56
Block first atom: 1185
Blocpdb> 22 atoms in block 57
Block first atom: 1209
Blocpdb> 19 atoms in block 58
Block first atom: 1231
Blocpdb> 23 atoms in block 59
Block first atom: 1250
Blocpdb> 19 atoms in block 60
Block first atom: 1273
Blocpdb> 21 atoms in block 61
Block first atom: 1292
Blocpdb> 25 atoms in block 62
Block first atom: 1313
Blocpdb> 22 atoms in block 63
Block first atom: 1338
Blocpdb> 21 atoms in block 64
Block first atom: 1360
Blocpdb> 28 atoms in block 65
Block first atom: 1381
Blocpdb> 27 atoms in block 66
Block first atom: 1409
Blocpdb> 21 atoms in block 67
Block first atom: 1436
Blocpdb> 31 atoms in block 68
Block first atom: 1457
Blocpdb> 24 atoms in block 69
Block first atom: 1488
Blocpdb> 20 atoms in block 70
Block first atom: 1512
Blocpdb> 21 atoms in block 71
Block first atom: 1532
Blocpdb> 23 atoms in block 72
Block first atom: 1553
Blocpdb> 26 atoms in block 73
Block first atom: 1576
Blocpdb> 21 atoms in block 74
Block first atom: 1602
Blocpdb> 26 atoms in block 75
Block first atom: 1623
Blocpdb> 22 atoms in block 76
Block first atom: 1649
Blocpdb> 28 atoms in block 77
Block first atom: 1671
Blocpdb> 23 atoms in block 78
Block first atom: 1699
Blocpdb> 24 atoms in block 79
Block first atom: 1722
Blocpdb> 17 atoms in block 80
Block first atom: 1746
Blocpdb> 18 atoms in block 81
Block first atom: 1763
Blocpdb> 24 atoms in block 82
Block first atom: 1781
Blocpdb> 24 atoms in block 83
Block first atom: 1805
Blocpdb> 22 atoms in block 84
Block first atom: 1829
Blocpdb> 20 atoms in block 85
Block first atom: 1851
Blocpdb> 22 atoms in block 86
Block first atom: 1871
Blocpdb> 20 atoms in block 87
Block first atom: 1893
Blocpdb> 22 atoms in block 88
Block first atom: 1913
Blocpdb> 26 atoms in block 89
Block first atom: 1935
Blocpdb> 19 atoms in block 90
Block first atom: 1961
Blocpdb> 21 atoms in block 91
Block first atom: 1980
Blocpdb> 21 atoms in block 92
Block first atom: 2001
Blocpdb> 16 atoms in block 93
Block first atom: 2022
Blocpdb> 23 atoms in block 94
Block first atom: 2038
Blocpdb> 31 atoms in block 95
Block first atom: 2061
Blocpdb> 21 atoms in block 96
Block first atom: 2092
Blocpdb> 25 atoms in block 97
Block first atom: 2113
Blocpdb> 20 atoms in block 98
Block first atom: 2138
Blocpdb> 15 atoms in block 99
Block first atom: 2158
Blocpdb> 22 atoms in block 100
Block first atom: 2173
Blocpdb> 24 atoms in block 101
Block first atom: 2195
Blocpdb> 20 atoms in block 102
Block first atom: 2219
Blocpdb> 26 atoms in block 103
Block first atom: 2239
Blocpdb> 21 atoms in block 104
Block first atom: 2265
Blocpdb> 25 atoms in block 105
Block first atom: 2286
Blocpdb> 21 atoms in block 106
Block first atom: 2311
Blocpdb> 25 atoms in block 107
Block first atom: 2332
Blocpdb> 22 atoms in block 108
Block first atom: 2357
Blocpdb> 25 atoms in block 109
Block first atom: 2379
Blocpdb> 21 atoms in block 110
Block first atom: 2404
Blocpdb> 24 atoms in block 111
Block first atom: 2425
Blocpdb> 15 atoms in block 112
Block first atom: 2449
Blocpdb> 23 atoms in block 113
Block first atom: 2464
Blocpdb> 22 atoms in block 114
Block first atom: 2487
Blocpdb> 22 atoms in block 115
Block first atom: 2509
Blocpdb> 22 atoms in block 116
Block first atom: 2531
Blocpdb> 29 atoms in block 117
Block first atom: 2553
Blocpdb> 26 atoms in block 118
Block first atom: 2582
Blocpdb> 18 atoms in block 119
Block first atom: 2608
Blocpdb> 28 atoms in block 120
Block first atom: 2626
Blocpdb> 29 atoms in block 121
Block first atom: 2654
Blocpdb> 26 atoms in block 122
Block first atom: 2683
Blocpdb> 23 atoms in block 123
Block first atom: 2709
Blocpdb> 22 atoms in block 124
Block first atom: 2732
Blocpdb> 15 atoms in block 125
Block first atom: 2754
Blocpdb> 20 atoms in block 126
Block first atom: 2769
Blocpdb> 20 atoms in block 127
Block first atom: 2789
Blocpdb> 17 atoms in block 128
Block first atom: 2809
Blocpdb> 25 atoms in block 129
Block first atom: 2826
Blocpdb> 26 atoms in block 130
Block first atom: 2851
Blocpdb> 23 atoms in block 131
Block first atom: 2877
Blocpdb> 27 atoms in block 132
Block first atom: 2900
Blocpdb> 21 atoms in block 133
Block first atom: 2927
Blocpdb> 22 atoms in block 134
Block first atom: 2948
Blocpdb> 21 atoms in block 135
Block first atom: 2970
Blocpdb> 25 atoms in block 136
Block first atom: 2991
Blocpdb> 18 atoms in block 137
Block first atom: 3016
Blocpdb> 13 atoms in block 138
Block first atom: 3034
Blocpdb> 16 atoms in block 139
Block first atom: 3047
Blocpdb> 27 atoms in block 140
Block first atom: 3063
Blocpdb> 18 atoms in block 141
Block first atom: 3090
Blocpdb> 22 atoms in block 142
Block first atom: 3108
Blocpdb> 27 atoms in block 143
Block first atom: 3130
Blocpdb> 21 atoms in block 144
Block first atom: 3157
Blocpdb> 26 atoms in block 145
Block first atom: 3178
Blocpdb> 19 atoms in block 146
Block first atom: 3204
Blocpdb> 24 atoms in block 147
Block first atom: 3223
Blocpdb> 24 atoms in block 148
Block first atom: 3247
Blocpdb> 22 atoms in block 149
Block first atom: 3271
Blocpdb> 20 atoms in block 150
Block first atom: 3293
Blocpdb> 28 atoms in block 151
Block first atom: 3313
Blocpdb> 23 atoms in block 152
Block first atom: 3341
Blocpdb> 19 atoms in block 153
Block first atom: 3364
Blocpdb> 22 atoms in block 154
Block first atom: 3383
Blocpdb> 19 atoms in block 155
Block first atom: 3405
Blocpdb> 22 atoms in block 156
Block first atom: 3424
Blocpdb> 17 atoms in block 157
Block first atom: 3446
Blocpdb> 20 atoms in block 158
Block first atom: 3463
Blocpdb> 28 atoms in block 159
Block first atom: 3483
Blocpdb> 18 atoms in block 160
Block first atom: 3511
Blocpdb> 25 atoms in block 161
Block first atom: 3529
Blocpdb> 24 atoms in block 162
Block first atom: 3554
Blocpdb> 24 atoms in block 163
Block first atom: 3578
Blocpdb> 20 atoms in block 164
Block first atom: 3602
Blocpdb> 23 atoms in block 165
Block first atom: 3622
Blocpdb> 23 atoms in block 166
Block first atom: 3645
Blocpdb> 24 atoms in block 167
Block first atom: 3668
Blocpdb> 22 atoms in block 168
Block first atom: 3692
Blocpdb> 22 atoms in block 169
Block first atom: 3714
Blocpdb> 18 atoms in block 170
Block first atom: 3736
Blocpdb> 20 atoms in block 171
Block first atom: 3754
Blocpdb> 22 atoms in block 172
Block first atom: 3774
Blocpdb> 23 atoms in block 173
Block first atom: 3796
Blocpdb> 22 atoms in block 174
Block first atom: 3819
Blocpdb> 15 atoms in block 175
Block first atom: 3840
Blocpdb> 175 blocks.
Blocpdb> At most, 31 atoms in each of them.
Blocpdb> At least, 13 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> 1374688 matrix lines read.
Prepmat> Matrix order = 11565
Prepmat> Matrix trace = 3003440.0000
Prepmat> Last element read: 11565 11565 168.7831
Prepmat> 15401 lines saved.
Prepmat> 13753 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: 3855
RTB> Total mass = 3855.0000
RTB> Number of atoms found in matrix: 3855
RTB> Number of blocks = 175
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 214070.2246
RTB> 56667 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 = 1050
Diagstd> Nb of non-zero elements: 56667
Diagstd> Projected matrix trace = 214070.2246
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1050 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 214070.2246
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 0.0882837 0.1837645 0.2113672 1.0112022
1.0627974 1.8908944 2.3409674 3.1836234 4.0434958
4.2394887 4.4129761 4.8478613 5.0635617 6.4552483
7.0473929 7.6456795 7.8327116 8.6284641 9.6707921
10.5217339 11.6045352 11.9619157 12.5059867 12.9689938
13.2851373 13.8426813 14.4989862 14.8024170 16.0605924
16.2817004 16.5699189 17.0531048 17.2490348 18.0615396
18.8778637 19.2334578 19.8454365 20.4508183 20.9693953
21.4222584 22.6802404 22.9967326 23.5816503 24.5602226
25.1393233 25.1722693 25.4157208 25.9012013 26.4986874
26.6875998 27.9988852 28.1943828 28.9897858 29.3082637
30.0365163 30.2556864 30.4001225 30.7536036 31.3659264
32.1567654 32.4512396 33.1710767 33.4885145 34.0431732
34.9432003 35.1936423 35.6536499 36.5757852 37.2926903
37.4634865 38.2199609 38.3624249 38.7874874 39.1244891
40.1157324 40.4682299 40.8229346 40.9255062 41.7235481
41.8223681 42.5812223 42.7257054 44.0527528 44.3675516
44.3915312 45.5229207 45.6619255 46.1690797 46.5516721
46.8868895 47.0513017 47.6396963 47.9235394 48.0485240
48.7944622 49.2675390 49.5280555 50.0742200 50.2951839
50.3534922
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034323 0.0034331 0.0034332 0.0034334
0.0034335 32.2652796 46.5506880 49.9245378 109.1979011
111.9490791 149.3237587 166.1471766 193.7564309 218.3603490
223.5898169 228.1187950 239.0949335 244.3561837 275.9000346
288.2766863 300.2640417 303.9144498 318.9789533 337.6963014
352.2402155 369.9211442 375.5741122 384.0203700 391.0645248
395.8022915 404.0223497 413.4891310 417.7934210 435.1871475
438.1725433 442.0337932 448.4324275 451.0011815 461.5010192
471.8149554 476.2379114 483.7551578 491.0781663 497.2653902
502.6062756 517.1530695 520.7488846 527.3298766 538.1600184
544.4676383 544.8242941 547.4525666 552.6564383 558.9944052
560.9834369 574.6000379 576.6025732 584.6793875 587.8822203
595.1412605 597.3086243 598.7326579 602.2035150 608.1690849
615.7883370 618.6014386 625.4247517 628.4101950 633.5928934
641.9136619 644.2098901 648.4063784 656.7379444 663.1429208
664.6597445 671.3367158 672.5867477 676.3026734 679.2343177
687.7849099 690.8000889 693.8209207 694.6920202 701.4325202
702.2626814 708.6052115 709.8063840 720.7452787 723.3159000
723.5113406 732.6732564 733.7910171 737.8547698 740.9056776
743.5685139 744.8710612 749.5140398 751.7435714 752.7232067
758.5435998 762.2118821 764.2244339 768.4265762 770.1201391
770.5664184
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3855
Rtb_to_modes> Number of blocs = 175
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9904E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9957E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.8284E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1838
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2114
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.011
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.063
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.891
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.341
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.184
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.043
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.239
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.413
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.848
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.064
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.455
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.047
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.646
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.833
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.628
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.671
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.96
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.51
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 12.97
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 13.29
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 13.84
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.80
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.06
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.05
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 17.25
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 18.06
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 18.88
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 19.85
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 20.45
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 21.42
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 22.68
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 23.58
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 24.56
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 25.14
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 25.17
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 25.42
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.90
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 26.50
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 28.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 28.19
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 29.31
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 30.04
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 30.26
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 30.40
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 31.37
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 32.16
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.45
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.49
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 34.04
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.94
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 35.19
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 35.65
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 36.58
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 37.29
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.46
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 38.22
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 38.36
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 38.79
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 39.12
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 40.12
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 40.47
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 40.82
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 40.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.72
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.82
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.58
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 42.73
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 44.05
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 44.37
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 44.39
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 45.52
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 45.66
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 46.17
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 46.55
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 46.89
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 47.05
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 47.64
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 47.92
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 48.05
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 48.79
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 49.27
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 49.53
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 50.30
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 50.35
Rtb_to_modes> 106 vectors, with 1050 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 1.00002
1.00000 1.00001 1.00001 0.99998 1.00000
1.00000 1.00001 0.99998 1.00002 0.99999
0.99999 1.00000 1.00002 1.00001 0.99998
0.99998 1.00000 0.99998 1.00003 1.00001
1.00002 1.00001 1.00001 1.00001 1.00000
1.00000 1.00002 1.00001 1.00001 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
0.99999 1.00001 0.99999 1.00000 0.99999
1.00000 1.00001 1.00002 1.00002 1.00003
1.00002 1.00002 1.00002 0.99998 1.00001
0.99998 1.00001 0.99997 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 1.00002 1.00001 1.00000 0.99999
1.00001 0.99997 1.00000 1.00002 1.00000
1.00001 1.00002 1.00002 0.99999 0.99998
1.00001 0.99997 0.99999 0.99999 1.00000
0.99999 0.99997 1.00000 1.00000 1.00001
1.00003 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 0.99999 1.00002 0.99998
0.99999 0.99999 0.99999 1.00000 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 69390 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 1.00002
1.00000 1.00001 1.00001 0.99998 1.00000
1.00000 1.00001 0.99998 1.00002 0.99999
0.99999 1.00000 1.00002 1.00001 0.99998
0.99998 1.00000 0.99998 1.00003 1.00001
1.00002 1.00001 1.00001 1.00001 1.00000
1.00000 1.00002 1.00001 1.00001 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
0.99999 1.00001 0.99999 1.00000 0.99999
1.00000 1.00001 1.00002 1.00002 1.00003
1.00002 1.00002 1.00002 0.99998 1.00001
0.99998 1.00001 0.99997 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 1.00002 1.00001 1.00000 0.99999
1.00001 0.99997 1.00000 1.00002 1.00000
1.00001 1.00002 1.00002 0.99999 0.99998
1.00001 0.99997 0.99999 0.99999 1.00000
0.99999 0.99997 1.00000 1.00000 1.00001
1.00003 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 0.99999 1.00002 0.99998
0.99999 0.99999 0.99999 1.00000 1.00001
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> 2404011519111875848.eigenfacs
Openam> file on opening on unit 10:
2404011519111875848.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404011519111875848.atom
Openam> file on opening on unit 11:
2404011519111875848.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 = 524
First residue number = 2
Last residue number = 525
Number of atoms found = 3855
Mean number per residue = 7.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9904E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.8284E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 12.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 13.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 18.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 21.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 22.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 23.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 24.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 25.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 25.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 25.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 26.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 28.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 28.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 29.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 30.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 30.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 30.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 31.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 32.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 34.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 35.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 35.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 36.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 37.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 38.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 38.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 38.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 39.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 40.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 40.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 40.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 40.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 42.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 44.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 44.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 44.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 45.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 45.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 46.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 46.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 46.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 47.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 47.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 47.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 48.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 48.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 49.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 49.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 50.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 50.35
Bfactors> 106 vectors, 11565 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 : 0.088284
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= 0.143 for 524 C-alpha atoms.
Bfactors> = 0.111 +/- 0.09
Bfactors> = 2.146 +/- 0.28
Bfactors> Shiftng-fct= 2.035
Bfactors> Scaling-fct= 3.199
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404011519111875848 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=0
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=100
2404011519111875848.eigenfacs
2404011519111875848.atom
making animated gifs
11 models are in 2404011519111875848.7.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 2404011519111875848.7.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 2404011519111875848.7.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 2404011519111875848 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=0
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=100
2404011519111875848.eigenfacs
2404011519111875848.atom
making animated gifs
11 models are in 2404011519111875848.8.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 2404011519111875848.8.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 2404011519111875848.8.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 2404011519111875848 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=0
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=100
2404011519111875848.eigenfacs
2404011519111875848.atom
making animated gifs
11 models are in 2404011519111875848.9.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 2404011519111875848.9.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 2404011519111875848.9.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 2404011519111875848 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=0
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=100
2404011519111875848.eigenfacs
2404011519111875848.atom
making animated gifs
11 models are in 2404011519111875848.10.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 2404011519111875848.10.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 2404011519111875848.10.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 2404011519111875848 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=-20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=0
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=20
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=40
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=60
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=80
2404011519111875848.eigenfacs
2404011519111875848.atom
calculating perturbed structure for DQ=100
2404011519111875848.eigenfacs
2404011519111875848.atom
making animated gifs
11 models are in 2404011519111875848.11.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 2404011519111875848.11.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 2404011519111875848.11.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
2404011519111875848.10.pdb
2404011519111875848.11.pdb
2404011519111875848.7.pdb
2404011519111875848.8.pdb
2404011519111875848.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.724s
user 0m20.628s
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: 2404011519111875848.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
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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
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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