*** ***
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 = 2402010001131129312.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 2402010001131129312.atom to be opened.
Openam> File opened: 2402010001131129312.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 = 1395
First residue number = 12
Last residue number = 1882
Number of atoms found = 11211
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 216.675334 +/- 24.315204 From: 158.992000 To: 286.466000
= 212.570457 +/- 24.500734 From: 158.433000 To: 276.788000
= 213.178645 +/- 23.697772 From: 154.931000 To: 281.123000
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 0.6326 % Filled.
Pdbmat> 3577891 non-zero elements.
Pdbmat> 390145 atom-atom interactions.
Pdbmat> Number per atom= 69.60 +/- 18.49
Maximum number = 124
Minimum number = 11
Pdbmat> Matrix trace = 7.802900E+06
Pdbmat> Larger element = 488.408
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1395 non-zero elements, NRBL set to 7
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 = 2402010001131129312.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2402010001131129312.atom to be opened.
Openam> file on opening on unit 11:
2402010001131129312.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 11211 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1395 residues.
Blocpdb> 68 atoms in block 1
Block first atom: 1
Blocpdb> 50 atoms in block 2
Block first atom: 69
Blocpdb> 60 atoms in block 3
Block first atom: 119
Blocpdb> 33 atoms in block 4
Block first atom: 179
Blocpdb> 57 atoms in block 5
Block first atom: 212
Blocpdb> 53 atoms in block 6
Block first atom: 269
Blocpdb> 56 atoms in block 7
Block first atom: 322
Blocpdb> 56 atoms in block 8
Block first atom: 378
Blocpdb> 53 atoms in block 9
Block first atom: 434
Blocpdb> 60 atoms in block 10
Block first atom: 487
Blocpdb> 58 atoms in block 11
Block first atom: 547
Blocpdb> 59 atoms in block 12
Block first atom: 605
Blocpdb> 50 atoms in block 13
Block first atom: 664
Blocpdb> 61 atoms in block 14
Block first atom: 714
Blocpdb> 54 atoms in block 15
Block first atom: 775
Blocpdb> 56 atoms in block 16
Block first atom: 829
Blocpdb> 57 atoms in block 17
Block first atom: 885
Blocpdb> 51 atoms in block 18
Block first atom: 942
Blocpdb> 58 atoms in block 19
Block first atom: 993
Blocpdb> 63 atoms in block 20
Block first atom: 1051
Blocpdb> 59 atoms in block 21
Block first atom: 1114
Blocpdb> 60 atoms in block 22
Block first atom: 1173
Blocpdb> 56 atoms in block 23
Block first atom: 1233
Blocpdb> 58 atoms in block 24
Block first atom: 1289
Blocpdb> 70 atoms in block 25
Block first atom: 1347
Blocpdb> 56 atoms in block 26
Block first atom: 1417
Blocpdb> 59 atoms in block 27
Block first atom: 1473
Blocpdb> 48 atoms in block 28
Block first atom: 1532
Blocpdb> 60 atoms in block 29
Block first atom: 1580
Blocpdb> 56 atoms in block 30
Block first atom: 1640
Blocpdb> 48 atoms in block 31
Block first atom: 1696
Blocpdb> 47 atoms in block 32
Block first atom: 1744
Blocpdb> 53 atoms in block 33
Block first atom: 1791
Blocpdb> 52 atoms in block 34
Block first atom: 1844
Blocpdb> 54 atoms in block 35
Block first atom: 1896
Blocpdb> 56 atoms in block 36
Block first atom: 1950
Blocpdb> 58 atoms in block 37
Block first atom: 2006
Blocpdb> 55 atoms in block 38
Block first atom: 2064
Blocpdb> 45 atoms in block 39
Block first atom: 2119
Blocpdb> 48 atoms in block 40
Block first atom: 2164
Blocpdb> 65 atoms in block 41
Block first atom: 2212
Blocpdb> 58 atoms in block 42
Block first atom: 2277
Blocpdb> 50 atoms in block 43
Block first atom: 2335
Blocpdb> 49 atoms in block 44
Block first atom: 2385
Blocpdb> 42 atoms in block 45
Block first atom: 2434
Blocpdb> 57 atoms in block 46
Block first atom: 2476
Blocpdb> 50 atoms in block 47
Block first atom: 2533
Blocpdb> 58 atoms in block 48
Block first atom: 2583
Blocpdb> 60 atoms in block 49
Block first atom: 2641
Blocpdb> 58 atoms in block 50
Block first atom: 2701
Blocpdb> 65 atoms in block 51
Block first atom: 2759
Blocpdb> 62 atoms in block 52
Block first atom: 2824
Blocpdb> 54 atoms in block 53
Block first atom: 2886
Blocpdb> 64 atoms in block 54
Block first atom: 2940
Blocpdb> 56 atoms in block 55
Block first atom: 3004
Blocpdb> 51 atoms in block 56
Block first atom: 3060
Blocpdb> 57 atoms in block 57
Block first atom: 3111
Blocpdb> 51 atoms in block 58
Block first atom: 3168
Blocpdb> 63 atoms in block 59
Block first atom: 3219
Blocpdb> 59 atoms in block 60
Block first atom: 3282
Blocpdb> 64 atoms in block 61
Block first atom: 3341
Blocpdb> 58 atoms in block 62
Block first atom: 3405
Blocpdb> 62 atoms in block 63
Block first atom: 3463
Blocpdb> 50 atoms in block 64
Block first atom: 3525
Blocpdb> 56 atoms in block 65
Block first atom: 3575
Blocpdb> 52 atoms in block 66
Block first atom: 3631
Blocpdb> 55 atoms in block 67
Block first atom: 3683
Blocpdb> 60 atoms in block 68
Block first atom: 3738
Blocpdb> 63 atoms in block 69
Block first atom: 3798
Blocpdb> 52 atoms in block 70
Block first atom: 3861
Blocpdb> 52 atoms in block 71
Block first atom: 3913
Blocpdb> 56 atoms in block 72
Block first atom: 3965
Blocpdb> 71 atoms in block 73
Block first atom: 4021
Blocpdb> 62 atoms in block 74
Block first atom: 4092
Blocpdb> 51 atoms in block 75
Block first atom: 4154
Blocpdb> 51 atoms in block 76
Block first atom: 4205
Blocpdb> 54 atoms in block 77
Block first atom: 4256
Blocpdb> 63 atoms in block 78
Block first atom: 4310
Blocpdb> 60 atoms in block 79
Block first atom: 4373
Blocpdb> 57 atoms in block 80
Block first atom: 4433
Blocpdb> 53 atoms in block 81
Block first atom: 4490
Blocpdb> 42 atoms in block 82
Block first atom: 4543
Blocpdb> 51 atoms in block 83
Block first atom: 4585
Blocpdb> 57 atoms in block 84
Block first atom: 4636
Blocpdb> 51 atoms in block 85
Block first atom: 4693
Blocpdb> 63 atoms in block 86
Block first atom: 4744
Blocpdb> 48 atoms in block 87
Block first atom: 4807
Blocpdb> 66 atoms in block 88
Block first atom: 4855
Blocpdb> 64 atoms in block 89
Block first atom: 4921
Blocpdb> 56 atoms in block 90
Block first atom: 4985
Blocpdb> 69 atoms in block 91
Block first atom: 5041
Blocpdb> 48 atoms in block 92
Block first atom: 5110
Blocpdb> 52 atoms in block 93
Block first atom: 5158
Blocpdb> 57 atoms in block 94
Block first atom: 5210
Blocpdb> 50 atoms in block 95
Block first atom: 5267
Blocpdb> 56 atoms in block 96
Block first atom: 5317
Blocpdb> 29 atoms in block 97
Block first atom: 5373
Blocpdb> 58 atoms in block 98
Block first atom: 5402
Blocpdb> 55 atoms in block 99
Block first atom: 5460
Blocpdb> 45 atoms in block 100
Block first atom: 5515
Blocpdb> 48 atoms in block 101
Block first atom: 5560
Blocpdb> 74 atoms in block 102
Block first atom: 5608
Blocpdb> 59 atoms in block 103
Block first atom: 5682
Blocpdb> 68 atoms in block 104
Block first atom: 5741
Blocpdb> 59 atoms in block 105
Block first atom: 5809
Blocpdb> 45 atoms in block 106
Block first atom: 5868
Blocpdb> 63 atoms in block 107
Block first atom: 5913
Blocpdb> 59 atoms in block 108
Block first atom: 5976
Blocpdb> 59 atoms in block 109
Block first atom: 6035
Blocpdb> 63 atoms in block 110
Block first atom: 6094
Blocpdb> 63 atoms in block 111
Block first atom: 6157
Blocpdb> 62 atoms in block 112
Block first atom: 6220
Blocpdb> 65 atoms in block 113
Block first atom: 6282
Blocpdb> 58 atoms in block 114
Block first atom: 6347
Blocpdb> 49 atoms in block 115
Block first atom: 6405
Blocpdb> 48 atoms in block 116
Block first atom: 6454
Blocpdb> 51 atoms in block 117
Block first atom: 6502
Blocpdb> 58 atoms in block 118
Block first atom: 6553
Blocpdb> 56 atoms in block 119
Block first atom: 6611
Blocpdb> 61 atoms in block 120
Block first atom: 6667
Blocpdb> 46 atoms in block 121
Block first atom: 6728
Blocpdb> 50 atoms in block 122
Block first atom: 6774
Blocpdb> 52 atoms in block 123
Block first atom: 6824
Blocpdb> 66 atoms in block 124
Block first atom: 6876
Blocpdb> 51 atoms in block 125
Block first atom: 6942
Blocpdb> 53 atoms in block 126
Block first atom: 6993
Blocpdb> 53 atoms in block 127
Block first atom: 7046
Blocpdb> 57 atoms in block 128
Block first atom: 7099
Blocpdb> 55 atoms in block 129
Block first atom: 7156
Blocpdb> 50 atoms in block 130
Block first atom: 7211
Blocpdb> 66 atoms in block 131
Block first atom: 7261
Blocpdb> 53 atoms in block 132
Block first atom: 7327
Blocpdb> 50 atoms in block 133
Block first atom: 7380
Blocpdb> 52 atoms in block 134
Block first atom: 7430
Blocpdb> 63 atoms in block 135
Block first atom: 7482
Blocpdb> 53 atoms in block 136
Block first atom: 7545
Blocpdb> 66 atoms in block 137
Block first atom: 7598
Blocpdb> 68 atoms in block 138
Block first atom: 7664
Blocpdb> 65 atoms in block 139
Block first atom: 7732
Blocpdb> 58 atoms in block 140
Block first atom: 7797
Blocpdb> 54 atoms in block 141
Block first atom: 7855
Blocpdb> 61 atoms in block 142
Block first atom: 7909
Blocpdb> 52 atoms in block 143
Block first atom: 7970
Blocpdb> 60 atoms in block 144
Block first atom: 8022
Blocpdb> 64 atoms in block 145
Block first atom: 8082
Blocpdb> 53 atoms in block 146
Block first atom: 8146
Blocpdb> 56 atoms in block 147
Block first atom: 8199
Blocpdb> 64 atoms in block 148
Block first atom: 8255
Blocpdb> 57 atoms in block 149
Block first atom: 8319
Blocpdb> 56 atoms in block 150
Block first atom: 8376
Blocpdb> 56 atoms in block 151
Block first atom: 8432
Blocpdb> 54 atoms in block 152
Block first atom: 8488
Blocpdb> 54 atoms in block 153
Block first atom: 8542
Blocpdb> 57 atoms in block 154
Block first atom: 8596
Blocpdb> 57 atoms in block 155
Block first atom: 8653
Blocpdb> 51 atoms in block 156
Block first atom: 8710
Blocpdb> 48 atoms in block 157
Block first atom: 8761
Blocpdb> 71 atoms in block 158
Block first atom: 8809
Blocpdb> 63 atoms in block 159
Block first atom: 8880
Blocpdb> 54 atoms in block 160
Block first atom: 8943
Blocpdb> 47 atoms in block 161
Block first atom: 8997
Blocpdb> 65 atoms in block 162
Block first atom: 9044
Blocpdb> 61 atoms in block 163
Block first atom: 9109
Blocpdb> 58 atoms in block 164
Block first atom: 9170
Blocpdb> 58 atoms in block 165
Block first atom: 9228
Blocpdb> 52 atoms in block 166
Block first atom: 9286
Blocpdb> 55 atoms in block 167
Block first atom: 9338
Blocpdb> 53 atoms in block 168
Block first atom: 9393
Blocpdb> 55 atoms in block 169
Block first atom: 9446
Blocpdb> 60 atoms in block 170
Block first atom: 9501
Blocpdb> 55 atoms in block 171
Block first atom: 9561
Blocpdb> 61 atoms in block 172
Block first atom: 9616
Blocpdb> 55 atoms in block 173
Block first atom: 9677
Blocpdb> 57 atoms in block 174
Block first atom: 9732
Blocpdb> 58 atoms in block 175
Block first atom: 9789
Blocpdb> 51 atoms in block 176
Block first atom: 9847
Blocpdb> 49 atoms in block 177
Block first atom: 9898
Blocpdb> 51 atoms in block 178
Block first atom: 9947
Blocpdb> 51 atoms in block 179
Block first atom: 9998
Blocpdb> 47 atoms in block 180
Block first atom: 10049
Blocpdb> 41 atoms in block 181
Block first atom: 10096
Blocpdb> 64 atoms in block 182
Block first atom: 10137
Blocpdb> 56 atoms in block 183
Block first atom: 10201
Blocpdb> 56 atoms in block 184
Block first atom: 10257
Blocpdb> 57 atoms in block 185
Block first atom: 10313
Blocpdb> 52 atoms in block 186
Block first atom: 10370
Blocpdb> 57 atoms in block 187
Block first atom: 10422
Blocpdb> 70 atoms in block 188
Block first atom: 10479
Blocpdb> 58 atoms in block 189
Block first atom: 10549
Blocpdb> 62 atoms in block 190
Block first atom: 10607
Blocpdb> 53 atoms in block 191
Block first atom: 10669
Blocpdb> 54 atoms in block 192
Block first atom: 10722
Blocpdb> 54 atoms in block 193
Block first atom: 10776
Blocpdb> 54 atoms in block 194
Block first atom: 10830
Blocpdb> 51 atoms in block 195
Block first atom: 10884
Blocpdb> 56 atoms in block 196
Block first atom: 10935
Blocpdb> 61 atoms in block 197
Block first atom: 10991
Blocpdb> 48 atoms in block 198
Block first atom: 11052
Blocpdb> 55 atoms in block 199
Block first atom: 11100
Blocpdb> 57 atoms in block 200
Block first atom: 11154
Blocpdb> 200 blocks.
Blocpdb> At most, 74 atoms in each of them.
Blocpdb> At least, 29 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> 3578091 matrix lines read.
Prepmat> Matrix order = 33633
Prepmat> Matrix trace = 7802900.0000
Prepmat> Last element read: 33633 33633 94.8463
Prepmat> 20101 lines saved.
Prepmat> 18890 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: 11211
RTB> Total mass = 11211.0000
RTB> Number of atoms found in matrix: 11211
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 145845.4890
RTB> 40560 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 = 1200
Diagstd> Nb of non-zero elements: 40560
Diagstd> Projected matrix trace = 145845.4890
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 145845.4890
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 0.0121478 0.0342285 0.0492350 0.0900594
0.1216685 0.1616426 0.1785402 0.1817649 0.2758142
0.3413602 0.3713877 0.4895838 0.5030846 0.5863002
0.6281950 0.6775357 0.7114218 0.8450844 0.9008302
0.9548548 1.0190827 1.0679977 1.1451028 1.1850770
1.2424412 1.4327314 1.4624519 1.5057916 1.7163383
1.8982470 2.0388142 2.0678634 2.2044039 2.2721022
2.4946652 2.6501092 2.7353978 2.8826317 2.9417097
2.9710668 3.0605404 3.2370004 3.3756039 3.5913196
3.6892729 3.7348805 3.8963701 4.0537873 4.3734065
4.4820979 4.5274851 4.6897959 4.7510709 4.9361186
5.0286232 5.2860550 5.4194338 5.5596309 5.5875094
5.8440673 5.9556659 5.9919170 6.2403293 6.2815705
6.6259519 6.7976977 6.8783464 7.1051286 7.1682795
7.4129293 7.5146424 7.8206966 7.9855104 8.0544705
8.2078042 8.4824925 8.5826492 8.6122673 8.7889279
8.9361850 9.1599668 9.3829469 9.5068936 9.6388700
9.8472569 10.0984851 10.1556595 10.4004464 10.6060994
10.9210728 11.1153759 11.2147741 11.5066381 11.5841530
11.6778106 11.7889718 11.9099756 12.0431630 12.1479116
12.3936518
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034337 0.0034339 0.0034342 0.0034343
0.0034344 11.9685978 20.0904239 24.0952856 32.5881484
37.8777668 43.6589350 45.8842121 46.2967228 57.0300339
63.4456337 66.1772957 75.9816677 77.0221761 83.1486697
86.0681591 89.3843273 91.5922787 99.8263774 103.0663144
106.1118672 109.6225722 112.2226310 116.2030480 118.2139031
121.0411965 129.9803415 131.3215747 133.2532209 142.2645606
149.6137954 155.0544042 156.1551124 161.2281498 163.6851240
171.5147275 176.7775734 179.5996670 184.3698310 186.2495292
187.1765705 189.9740758 195.3739496 199.5129178 205.7890721
208.5766426 209.8619168 214.3509332 218.6380574 227.0937619
229.8984009 231.0594819 235.1647657 236.6960638 241.2615286
243.5116982 249.6669857 252.7971869 256.0461550 256.6873179
262.5142502 265.0088914 265.8141989 271.2682932 272.1631971
279.5242037 283.1236852 284.7982416 289.4551296 290.7386347
295.6583921 297.6798514 303.6812644 306.8644783 308.1866193
311.1062780 316.2692894 318.1309789 318.6794295 321.9313209
324.6170717 328.6565039 332.6326763 334.8224702 337.1384942
340.7633771 345.0828647 346.0583613 350.2041349 353.6495630
358.8623783 362.0406679 363.6558220 368.3574926 369.5961359
371.0872171 372.8492247 374.7578302 376.8474335 378.4827504
382.2917490
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 11211
Rtb_to_modes> Number of blocs = 200
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: 9.9944E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9983E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.2148E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.4228E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.9235E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.0059E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1217
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1616
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1785
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1818
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2758
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3414
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3714
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4896
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5031
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5863
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6282
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6775
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.7114
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.8451
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.9008
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.9549
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.019
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.068
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.145
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.185
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.242
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.433
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.462
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.506
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.716
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.898
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.039
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.068
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.204
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.272
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.495
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.650
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.735
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.883
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.942
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.971
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.061
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.237
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.376
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.591
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.689
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.735
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.896
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.054
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.373
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.482
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.527
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.690
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.751
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.936
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 5.029
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 5.286
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.419
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.560
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.588
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.844
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.956
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.992
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.240
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.282
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.626
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.798
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.878
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 7.105
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.168
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.413
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.515
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.821
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 7.986
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.054
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 8.208
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.482
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.583
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 8.612
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 8.789
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 8.936
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 9.160
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 9.383
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 9.507
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 9.639
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 9.847
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 10.10
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 11.12
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 11.21
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 11.68
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 11.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 12.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 12.39
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 0.99999 1.00000 1.00000 1.00000
0.99998 1.00000 1.00002 1.00002 0.99998
0.99999 1.00001 0.99998 0.99999 0.99999
1.00003 1.00001 1.00003 1.00000 1.00001
0.99998 1.00000 0.99998 1.00001 1.00000
1.00000 0.99999 0.99999 1.00001 0.99998
1.00001 1.00001 1.00000 1.00004 1.00001
0.99999 1.00002 0.99999 1.00001 0.99998
1.00001 0.99998 1.00001 1.00001 0.99995
1.00000 0.99999 0.99997 0.99998 1.00001
1.00002 1.00001 0.99998 0.99998 0.99997
1.00000 1.00001 1.00002 1.00001 0.99998
1.00002 1.00000 0.99999 0.99998 1.00000
0.99997 1.00001 0.99999 0.99999 1.00002
1.00001 0.99999 0.99998 1.00000 1.00001
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00002 1.00004 0.99999
0.99997 1.00002 1.00000 1.00000 0.99999
1.00002 1.00001 1.00002 1.00001 1.00000
1.00001 1.00000 1.00000 0.99999 1.00001
1.00003 0.99999 1.00001 1.00000 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 201798 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 0.99999 1.00000 1.00000 1.00000
0.99998 1.00000 1.00002 1.00002 0.99998
0.99999 1.00001 0.99998 0.99999 0.99999
1.00003 1.00001 1.00003 1.00000 1.00001
0.99998 1.00000 0.99998 1.00001 1.00000
1.00000 0.99999 0.99999 1.00001 0.99998
1.00001 1.00001 1.00000 1.00004 1.00001
0.99999 1.00002 0.99999 1.00001 0.99998
1.00001 0.99998 1.00001 1.00001 0.99995
1.00000 0.99999 0.99997 0.99998 1.00001
1.00002 1.00001 0.99998 0.99998 0.99997
1.00000 1.00001 1.00002 1.00001 0.99998
1.00002 1.00000 0.99999 0.99998 1.00000
0.99997 1.00001 0.99999 0.99999 1.00002
1.00001 0.99999 0.99998 1.00000 1.00001
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00002 1.00004 0.99999
0.99997 1.00002 1.00000 1.00000 0.99999
1.00002 1.00001 1.00002 1.00001 1.00000
1.00001 1.00000 1.00000 0.99999 1.00001
1.00003 0.99999 1.00001 1.00000 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000 0.000
Vector 5: 0.000-0.000 0.000 0.000
Vector 6:-0.000 0.000-0.000-0.000-0.000
Vector 7:-0.000-0.000 0.000 0.000 0.000 0.000
Vector 8: 0.000-0.000 0.000-0.000-0.000 0.000 0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 10:-0.000-0.000 0.000 0.000 0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402010001131129312.eigenfacs
Openam> file on opening on unit 10:
2402010001131129312.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402010001131129312.atom
Openam> file on opening on unit 11:
2402010001131129312.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 = 1395
First residue number = 12
Last residue number = 1882
Number of atoms found = 11211
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.2148E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4228E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9235E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0059E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.039
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 5.029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 5.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 7.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 7.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 8.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 8.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 8.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 8.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 9.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 9.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 10.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 11.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 12.39
Bfactors> 106 vectors, 33633 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 : 0.012148
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= 0.523 for 1395 C-alpha atoms.
Bfactors> = 0.287 +/- 0.63
Bfactors> = 95.910 +/- 32.95
Bfactors> Shiftng-fct= 95.623
Bfactors> Scaling-fct= 52.203
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402010001131129312 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=0
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=100
2402010001131129312.eigenfacs
2402010001131129312.atom
making animated gifs
11 models are in 2402010001131129312.7.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 2402010001131129312.7.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 2402010001131129312.7.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 2402010001131129312 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=0
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=100
2402010001131129312.eigenfacs
2402010001131129312.atom
making animated gifs
11 models are in 2402010001131129312.8.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 2402010001131129312.8.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 2402010001131129312.8.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 2402010001131129312 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=0
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=100
2402010001131129312.eigenfacs
2402010001131129312.atom
making animated gifs
11 models are in 2402010001131129312.9.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 2402010001131129312.9.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 2402010001131129312.9.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 2402010001131129312 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=0
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=100
2402010001131129312.eigenfacs
2402010001131129312.atom
making animated gifs
11 models are in 2402010001131129312.10.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 2402010001131129312.10.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 2402010001131129312.10.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 2402010001131129312 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=-20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=0
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=20
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=40
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=60
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=80
2402010001131129312.eigenfacs
2402010001131129312.atom
calculating perturbed structure for DQ=100
2402010001131129312.eigenfacs
2402010001131129312.atom
making animated gifs
11 models are in 2402010001131129312.11.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 2402010001131129312.11.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 2402010001131129312.11.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
2402010001131129312.10.pdb
2402010001131129312.11.pdb
2402010001131129312.7.pdb
2402010001131129312.8.pdb
2402010001131129312.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m5.093s
user 1m4.850s
sys 0m0.180s
../../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: 2402010001131129312.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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