*** 01-JUN-22 ***
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 = 2403160332523449438.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 2403160332523449438.atom to be opened.
Openam> File opened: 2403160332523449438.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 = 2136
First residue number = 1
Last residue number = 2136
Number of atoms found = 17184
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -10.441335 +/- 34.237153 From: -89.325000 To: 66.314000
= 0.622158 +/- 19.497941 From: -52.936000 To: 62.886000
= -4.084526 +/- 23.624463 From: -62.024000 To: 51.949000
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 -0.7471 % Filled.
Pdbmat> 6115766 non-zero elements.
Pdbmat> 668173 atom-atom interactions.
Pdbmat> Number per atom= 77.77 +/- 24.26
Maximum number = 125
Minimum number = 8
Pdbmat> Matrix trace = 1.336346E+07
Pdbmat> Larger element = 496.629
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
2136 non-zero elements, NRBL set to 11
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 = 2403160332523449438.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 11
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 2403160332523449438.atom to be opened.
Openam> file on opening on unit 11:
2403160332523449438.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 17184 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 11 residue(s) per block.
Blocpdb> 2136 residues.
Blocpdb> 86 atoms in block 1
Block first atom: 1
Blocpdb> 89 atoms in block 2
Block first atom: 87
Blocpdb> 94 atoms in block 3
Block first atom: 176
Blocpdb> 80 atoms in block 4
Block first atom: 270
Blocpdb> 81 atoms in block 5
Block first atom: 350
Blocpdb> 92 atoms in block 6
Block first atom: 431
Blocpdb> 103 atoms in block 7
Block first atom: 523
Blocpdb> 94 atoms in block 8
Block first atom: 626
Blocpdb> 79 atoms in block 9
Block first atom: 720
Blocpdb> 96 atoms in block 10
Block first atom: 799
Blocpdb> 94 atoms in block 11
Block first atom: 895
Blocpdb> 81 atoms in block 12
Block first atom: 989
Blocpdb> 72 atoms in block 13
Block first atom: 1070
Blocpdb> 102 atoms in block 14
Block first atom: 1142
Blocpdb> 86 atoms in block 15
Block first atom: 1244
Blocpdb> 90 atoms in block 16
Block first atom: 1330
Blocpdb> 87 atoms in block 17
Block first atom: 1420
Blocpdb> 89 atoms in block 18
Block first atom: 1507
Blocpdb> 90 atoms in block 19
Block first atom: 1596
Blocpdb> 86 atoms in block 20
Block first atom: 1686
Blocpdb> 85 atoms in block 21
Block first atom: 1772
Blocpdb> 79 atoms in block 22
Block first atom: 1857
Blocpdb> 75 atoms in block 23
Block first atom: 1936
Blocpdb> 95 atoms in block 24
Block first atom: 2011
Blocpdb> 103 atoms in block 25
Block first atom: 2106
Blocpdb> 86 atoms in block 26
Block first atom: 2209
Blocpdb> 84 atoms in block 27
Block first atom: 2295
Blocpdb> 91 atoms in block 28
Block first atom: 2379
Blocpdb> 93 atoms in block 29
Block first atom: 2470
Blocpdb> 100 atoms in block 30
Block first atom: 2563
Blocpdb> 74 atoms in block 31
Block first atom: 2663
Blocpdb> 89 atoms in block 32
Block first atom: 2737
Blocpdb> 95 atoms in block 33
Block first atom: 2826
Blocpdb> 97 atoms in block 34
Block first atom: 2921
Blocpdb> 101 atoms in block 35
Block first atom: 3018
Blocpdb> 90 atoms in block 36
Block first atom: 3119
Blocpdb> 79 atoms in block 37
Block first atom: 3209
Blocpdb> 90 atoms in block 38
Block first atom: 3288
Blocpdb> 87 atoms in block 39
Block first atom: 3378
Blocpdb> 95 atoms in block 40
Block first atom: 3465
Blocpdb> 87 atoms in block 41
Block first atom: 3560
Blocpdb> 87 atoms in block 42
Block first atom: 3647
Blocpdb> 87 atoms in block 43
Block first atom: 3734
Blocpdb> 90 atoms in block 44
Block first atom: 3821
Blocpdb> 89 atoms in block 45
Block first atom: 3911
Blocpdb> 78 atoms in block 46
Block first atom: 4000
Blocpdb> 75 atoms in block 47
Block first atom: 4078
Blocpdb> 91 atoms in block 48
Block first atom: 4153
Blocpdb> 86 atoms in block 49
Block first atom: 4244
Blocpdb> 90 atoms in block 50
Block first atom: 4330
Blocpdb> 80 atoms in block 51
Block first atom: 4420
Blocpdb> 79 atoms in block 52
Block first atom: 4500
Blocpdb> 86 atoms in block 53
Block first atom: 4579
Blocpdb> 92 atoms in block 54
Block first atom: 4665
Blocpdb> 90 atoms in block 55
Block first atom: 4757
Blocpdb> 91 atoms in block 56
Block first atom: 4847
Blocpdb> 89 atoms in block 57
Block first atom: 4938
Blocpdb> 85 atoms in block 58
Block first atom: 5027
Blocpdb> 92 atoms in block 59
Block first atom: 5112
Blocpdb> 82 atoms in block 60
Block first atom: 5204
Blocpdb> 85 atoms in block 61
Block first atom: 5286
Blocpdb> 97 atoms in block 62
Block first atom: 5371
Blocpdb> 85 atoms in block 63
Block first atom: 5468
Blocpdb> 96 atoms in block 64
Block first atom: 5553
Blocpdb> 97 atoms in block 65
Block first atom: 5649
Blocpdb> 85 atoms in block 66
Block first atom: 5746
Blocpdb> 83 atoms in block 67
Block first atom: 5831
Blocpdb> 90 atoms in block 68
Block first atom: 5914
Blocpdb> 79 atoms in block 69
Block first atom: 6004
Blocpdb> 89 atoms in block 70
Block first atom: 6083
Blocpdb> 89 atoms in block 71
Block first atom: 6172
Blocpdb> 86 atoms in block 72
Block first atom: 6261
Blocpdb> 90 atoms in block 73
Block first atom: 6347
Blocpdb> 83 atoms in block 74
Block first atom: 6437
Blocpdb> 83 atoms in block 75
Block first atom: 6520
Blocpdb> 84 atoms in block 76
Block first atom: 6603
Blocpdb> 88 atoms in block 77
Block first atom: 6687
Blocpdb> 84 atoms in block 78
Block first atom: 6775
Blocpdb> 85 atoms in block 79
Block first atom: 6859
Blocpdb> 93 atoms in block 80
Block first atom: 6944
Blocpdb> 86 atoms in block 81
Block first atom: 7037
Blocpdb> 86 atoms in block 82
Block first atom: 7123
Blocpdb> 78 atoms in block 83
Block first atom: 7209
Blocpdb> 92 atoms in block 84
Block first atom: 7287
Blocpdb> 94 atoms in block 85
Block first atom: 7379
Blocpdb> 85 atoms in block 86
Block first atom: 7473
Blocpdb> 93 atoms in block 87
Block first atom: 7558
Blocpdb> 84 atoms in block 88
Block first atom: 7651
Blocpdb> 92 atoms in block 89
Block first atom: 7735
Blocpdb> 84 atoms in block 90
Block first atom: 7827
Blocpdb> 97 atoms in block 91
Block first atom: 7911
Blocpdb> 87 atoms in block 92
Block first atom: 8008
Blocpdb> 92 atoms in block 93
Block first atom: 8095
Blocpdb> 97 atoms in block 94
Block first atom: 8187
Blocpdb> 93 atoms in block 95
Block first atom: 8284
Blocpdb> 85 atoms in block 96
Block first atom: 8377
Blocpdb> 86 atoms in block 97
Block first atom: 8462
Blocpdb> 85 atoms in block 98
Block first atom: 8548
Blocpdb> 78 atoms in block 99
Block first atom: 8633
Blocpdb> 94 atoms in block 100
Block first atom: 8711
Blocpdb> 90 atoms in block 101
Block first atom: 8805
Blocpdb> 91 atoms in block 102
Block first atom: 8895
Blocpdb> 100 atoms in block 103
Block first atom: 8986
Blocpdb> 91 atoms in block 104
Block first atom: 9086
Blocpdb> 103 atoms in block 105
Block first atom: 9177
Blocpdb> 91 atoms in block 106
Block first atom: 9280
Blocpdb> 91 atoms in block 107
Block first atom: 9371
Blocpdb> 90 atoms in block 108
Block first atom: 9462
Blocpdb> 90 atoms in block 109
Block first atom: 9552
Blocpdb> 95 atoms in block 110
Block first atom: 9642
Blocpdb> 84 atoms in block 111
Block first atom: 9737
Blocpdb> 91 atoms in block 112
Block first atom: 9821
Blocpdb> 98 atoms in block 113
Block first atom: 9912
Blocpdb> 96 atoms in block 114
Block first atom: 10010
Blocpdb> 90 atoms in block 115
Block first atom: 10106
Blocpdb> 103 atoms in block 116
Block first atom: 10196
Blocpdb> 87 atoms in block 117
Block first atom: 10299
Blocpdb> 92 atoms in block 118
Block first atom: 10386
Blocpdb> 86 atoms in block 119
Block first atom: 10478
Blocpdb> 83 atoms in block 120
Block first atom: 10564
Blocpdb> 101 atoms in block 121
Block first atom: 10647
Blocpdb> 91 atoms in block 122
Block first atom: 10748
Blocpdb> 76 atoms in block 123
Block first atom: 10839
Blocpdb> 78 atoms in block 124
Block first atom: 10915
Blocpdb> 88 atoms in block 125
Block first atom: 10993
Blocpdb> 82 atoms in block 126
Block first atom: 11081
Blocpdb> 108 atoms in block 127
Block first atom: 11163
Blocpdb> 92 atoms in block 128
Block first atom: 11271
Blocpdb> 81 atoms in block 129
Block first atom: 11363
Blocpdb> 78 atoms in block 130
Block first atom: 11444
Blocpdb> 107 atoms in block 131
Block first atom: 11522
Blocpdb> 94 atoms in block 132
Block first atom: 11629
Blocpdb> 82 atoms in block 133
Block first atom: 11723
Blocpdb> 81 atoms in block 134
Block first atom: 11805
Blocpdb> 95 atoms in block 135
Block first atom: 11886
Blocpdb> 79 atoms in block 136
Block first atom: 11981
Blocpdb> 82 atoms in block 137
Block first atom: 12060
Blocpdb> 87 atoms in block 138
Block first atom: 12142
Blocpdb> 88 atoms in block 139
Block first atom: 12229
Blocpdb> 93 atoms in block 140
Block first atom: 12317
Blocpdb> 84 atoms in block 141
Block first atom: 12410
Blocpdb> 90 atoms in block 142
Block first atom: 12494
Blocpdb> 87 atoms in block 143
Block first atom: 12584
Blocpdb> 78 atoms in block 144
Block first atom: 12671
Blocpdb> 100 atoms in block 145
Block first atom: 12749
Blocpdb> 91 atoms in block 146
Block first atom: 12849
Blocpdb> 81 atoms in block 147
Block first atom: 12940
Blocpdb> 85 atoms in block 148
Block first atom: 13021
Blocpdb> 90 atoms in block 149
Block first atom: 13106
Blocpdb> 79 atoms in block 150
Block first atom: 13196
Blocpdb> 82 atoms in block 151
Block first atom: 13275
Blocpdb> 93 atoms in block 152
Block first atom: 13357
Blocpdb> 97 atoms in block 153
Block first atom: 13450
Blocpdb> 84 atoms in block 154
Block first atom: 13547
Blocpdb> 86 atoms in block 155
Block first atom: 13631
Blocpdb> 91 atoms in block 156
Block first atom: 13717
Blocpdb> 94 atoms in block 157
Block first atom: 13808
Blocpdb> 92 atoms in block 158
Block first atom: 13902
Blocpdb> 90 atoms in block 159
Block first atom: 13994
Blocpdb> 95 atoms in block 160
Block first atom: 14084
Blocpdb> 105 atoms in block 161
Block first atom: 14179
Blocpdb> 88 atoms in block 162
Block first atom: 14284
Blocpdb> 89 atoms in block 163
Block first atom: 14372
Blocpdb> 83 atoms in block 164
Block first atom: 14461
Blocpdb> 85 atoms in block 165
Block first atom: 14544
Blocpdb> 94 atoms in block 166
Block first atom: 14629
Blocpdb> 86 atoms in block 167
Block first atom: 14723
Blocpdb> 85 atoms in block 168
Block first atom: 14809
Blocpdb> 85 atoms in block 169
Block first atom: 14894
Blocpdb> 100 atoms in block 170
Block first atom: 14979
Blocpdb> 88 atoms in block 171
Block first atom: 15079
Blocpdb> 91 atoms in block 172
Block first atom: 15167
Blocpdb> 90 atoms in block 173
Block first atom: 15258
Blocpdb> 84 atoms in block 174
Block first atom: 15348
Blocpdb> 85 atoms in block 175
Block first atom: 15432
Blocpdb> 82 atoms in block 176
Block first atom: 15517
Blocpdb> 75 atoms in block 177
Block first atom: 15599
Blocpdb> 87 atoms in block 178
Block first atom: 15674
Blocpdb> 96 atoms in block 179
Block first atom: 15761
Blocpdb> 88 atoms in block 180
Block first atom: 15857
Blocpdb> 91 atoms in block 181
Block first atom: 15945
Blocpdb> 87 atoms in block 182
Block first atom: 16036
Blocpdb> 89 atoms in block 183
Block first atom: 16123
Blocpdb> 93 atoms in block 184
Block first atom: 16212
Blocpdb> 78 atoms in block 185
Block first atom: 16305
Blocpdb> 93 atoms in block 186
Block first atom: 16383
Blocpdb> 78 atoms in block 187
Block first atom: 16476
Blocpdb> 101 atoms in block 188
Block first atom: 16554
Blocpdb> 76 atoms in block 189
Block first atom: 16655
Blocpdb> 91 atoms in block 190
Block first atom: 16731
Blocpdb> 76 atoms in block 191
Block first atom: 16822
Blocpdb> 95 atoms in block 192
Block first atom: 16898
Blocpdb> 94 atoms in block 193
Block first atom: 16993
Blocpdb> 83 atoms in block 194
Block first atom: 17087
Blocpdb> 15 atoms in block 195
Block first atom: 17169
Blocpdb> 195 blocks.
Blocpdb> At most, 108 atoms in each of them.
Blocpdb> At least, 15 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> 6115961 matrix lines read.
Prepmat> Matrix order = 51552
Prepmat> Matrix trace = 13363460.0001
Prepmat> Last element read: 51552 51552 41.8768
Prepmat> 19111 lines saved.
Prepmat> 17711 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: 17184
RTB> Total mass = 17184.0000
RTB> Number of atoms found in matrix: 17184
RTB> Number of blocks = 195
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 164977.8173
RTB> 47439 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 = 1170
Diagstd> Nb of non-zero elements: 47439
Diagstd> Projected matrix trace = 164977.8173
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1170 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 164977.8173
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 0.0000965 0.0002063 0.0005518 0.0014287
0.0059886 0.0106768 0.0159156 0.0225903 0.0287289
0.0353335 0.0543245 0.0598477 0.0844503 0.1095359
0.1233856 0.1395787 0.1578451 0.1681155 0.2139619
0.2226966 0.2262077 0.2694431 0.2774228 0.3579721
0.3995109 0.4282829 0.4753062 0.5136094 0.5930926
0.6499421 0.6977406 0.7327289 0.7910736 0.8329000
0.9436793 1.0319858 1.1330797 1.1762085 1.2261724
1.2873950 1.3452214 1.3663207 1.4899685 1.5187095
1.6195829 1.7199869 1.8045902 2.2409166 2.3645164
2.3844463 2.5117558 2.6142353 2.7760395 2.9127524
2.9493394 3.0956826 3.2930187 3.4367033 3.5637361
3.7173757 3.9036379 3.9973545 4.0100624 4.1102167
4.3838301 4.6214197 4.8486113 4.9790613 5.0918164
5.3620588 5.5304525 5.5961353 5.6924880 5.7745303
6.0701098 6.1574083 6.3187255 6.5310049 6.6744402
6.9238395 7.1265028 7.3016200 7.4806458 7.8071734
7.8647734 8.0122929 8.1922078 8.5902685 8.7353859
9.0502523 9.0688895 9.2908103 9.4371637 9.7858486
9.9252439 10.1858906 10.4661388 10.6346835 10.7676480
11.0680901
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034327 0.0034333 0.0034334 0.0034341
0.0034343 1.0667848 1.5595290 2.5508184 4.1045925
8.4034846 11.2205750 13.6995648 16.3213744 18.4058051
20.4121547 25.3100534 26.5655562 31.5570113 35.9396265
38.1441195 40.5699839 43.1430426 44.5245109 50.2300434
51.2450655 51.6474596 56.3675058 57.1960935 64.9710447
68.6372046 71.0658013 74.8655490 77.8236813 83.6289304
87.5452552 90.7073075 92.9537559 96.5836757 99.1041199
105.4890791 110.3143842 115.5913943 117.7707514 120.2461137
123.2114835 125.9482596 126.9321399 132.5512481 133.8235780
138.1964461 142.4156950 145.8762448 162.5579177 166.9807659
167.6830065 172.1012354 175.5769966 180.9289644 185.3305716
186.4909050 191.0616373 197.0572320 201.3104425 204.9972562
209.3695432 214.5507536 217.1108930 217.4557236 220.1545369
227.3642281 233.4441441 239.1134268 242.3087063 245.0369897
251.4554573 255.3733732 256.8853777 259.0874300 260.9477825
267.5429751 269.4599696 272.9669227 277.5142487 280.5451095
285.7385113 289.8901848 293.4302569 297.0057289 303.4185941
304.5358227 307.3786431 310.8105555 318.2721590 320.9492217
326.6823145 327.0185105 330.9954896 333.5923055 339.6992019
342.1100822 346.5730467 351.3083928 354.1257963 356.3327217
361.2697707
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 17184
Rtb_to_modes> Number of blocs = 195
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: 9.9876E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9926E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9966E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.6508E-05
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.0625E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.5178E-04
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.4287E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.9886E-03
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.0677E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.5916E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.2590E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.8729E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.5334E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.4324E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.9848E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.4450E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.1095
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.1234
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.1396
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1578
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1681
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.2140
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.2227
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.2262
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.2694
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.2774
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.3580
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.3995
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.4283
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.4753
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.5136
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.5931
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.6499
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.6977
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.7327
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.7911
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.8329
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.9437
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.032
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.133
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.176
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.226
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 1.287
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 1.345
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 1.366
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.490
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 1.519
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 1.620
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.720
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 1.805
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 2.241
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 2.365
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.384
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 2.512
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 2.614
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 2.776
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 2.913
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 2.949
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 3.096
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 3.293
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 3.437
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 3.564
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 3.717
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 3.904
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 3.997
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 4.010
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 4.110
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 4.384
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 4.621
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 4.849
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 4.979
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 5.092
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 5.362
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 5.530
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 5.596
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 5.692
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 5.775
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 6.070
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 6.157
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 6.319
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 6.531
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 6.674
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 6.924
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 7.127
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 7.302
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 7.481
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 7.807
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 7.865
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 8.012
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 8.192
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.590
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.735
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 9.050
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 9.069
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 9.291
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 9.437
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 9.786
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 9.925
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 10.63
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 10.77
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 11.07
Rtb_to_modes> 106 vectors, with 1170 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
0.99999 0.99997 1.00001 1.00003 1.00002
0.99999 0.99996 1.00001 1.00007 1.00002
0.99999 1.00000 1.00004 1.00002 0.99999
0.99997 1.00002 1.00000 1.00000 1.00001
0.99999 1.00000 0.99997 1.00002 1.00003
1.00003 1.00000 0.99997 1.00001 1.00002
1.00004 1.00000 1.00001 1.00000 0.99998
0.99998 1.00000 0.99996 1.00000 1.00000
1.00002 1.00003 1.00000 1.00000 1.00000
1.00002 1.00001 1.00000 1.00001 1.00001
0.99998 1.00000 0.99998 1.00002 1.00002
1.00001 0.99994 1.00000 1.00000 0.99999
1.00000 1.00002 0.99999 1.00000 0.99997
1.00001 0.99997 1.00004 0.99999 1.00001
1.00001 1.00000 0.99998 0.99999 0.99999
0.99999 1.00001 0.99999 1.00002 1.00000
0.99999 0.99999 0.99999 1.00001 0.99998
1.00003 1.00002 1.00000 1.00000 1.00003
1.00000 0.99999 1.00000 0.99997 1.00000
1.00000 0.99999 0.99999 0.99999 1.00001
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 309312 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
0.99999 0.99997 1.00001 1.00003 1.00002
0.99999 0.99996 1.00001 1.00007 1.00002
0.99999 1.00000 1.00004 1.00002 0.99999
0.99997 1.00002 1.00000 1.00000 1.00001
0.99999 1.00000 0.99997 1.00002 1.00003
1.00003 1.00000 0.99997 1.00001 1.00002
1.00004 1.00000 1.00001 1.00000 0.99998
0.99998 1.00000 0.99996 1.00000 1.00000
1.00002 1.00003 1.00000 1.00000 1.00000
1.00002 1.00001 1.00000 1.00001 1.00001
0.99998 1.00000 0.99998 1.00002 1.00002
1.00001 0.99994 1.00000 1.00000 0.99999
1.00000 1.00002 0.99999 1.00000 0.99997
1.00001 0.99997 1.00004 0.99999 1.00001
1.00001 1.00000 0.99998 0.99999 0.99999
0.99999 1.00001 0.99999 1.00002 1.00000
0.99999 0.99999 0.99999 1.00001 0.99998
1.00003 1.00002 1.00000 1.00000 1.00003
1.00000 0.99999 1.00000 0.99997 1.00000
1.00000 0.99999 0.99999 0.99999 1.00001
1.00003
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> 2403160332523449438.eigenfacs
Openam> file on opening on unit 10:
2403160332523449438.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403160332523449438.atom
Openam> file on opening on unit 11:
2403160332523449438.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 = 2136
First residue number = 1
Last residue number = 2136
Number of atoms found = 17184
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: 9.9876E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6508E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0625E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5178E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4287E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9886E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0677E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5916E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2590E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8729E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5334E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.4324E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9848E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4450E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 5.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 5.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 6.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 6.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 6.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 6.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 6.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 7.127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 7.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 7.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 7.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 7.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 8.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 8.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 9.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 10.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 11.07
Bfactors> 106 vectors, 51552 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 : 0.000097
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= -0.292 for 2136 C-alpha atoms.
Bfactors> = 16.624 +/- 133.91
Bfactors> = 83.434 +/- 17.08
Bfactors> Shiftng-fct= 66.810
Bfactors> Scaling-fct= 0.128
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403160332523449438 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=0
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=100
2403160332523449438.eigenfacs
2403160332523449438.atom
making animated gifs
11 models are in 2403160332523449438.7.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 2403160332523449438.7.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 2403160332523449438.7.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 2403160332523449438 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=0
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=100
2403160332523449438.eigenfacs
2403160332523449438.atom
making animated gifs
11 models are in 2403160332523449438.8.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 2403160332523449438.8.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 2403160332523449438.8.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 2403160332523449438 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=0
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=100
2403160332523449438.eigenfacs
2403160332523449438.atom
making animated gifs
11 models are in 2403160332523449438.9.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 2403160332523449438.9.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 2403160332523449438.9.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 2403160332523449438 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=0
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=100
2403160332523449438.eigenfacs
2403160332523449438.atom
making animated gifs
11 models are in 2403160332523449438.10.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 2403160332523449438.10.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 2403160332523449438.10.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 2403160332523449438 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=-20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=0
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=20
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=40
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=60
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=80
2403160332523449438.eigenfacs
2403160332523449438.atom
calculating perturbed structure for DQ=100
2403160332523449438.eigenfacs
2403160332523449438.atom
making animated gifs
11 models are in 2403160332523449438.11.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 2403160332523449438.11.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 2403160332523449438.11.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
2403160332523449438.10.pdb
2403160332523449438.11.pdb
2403160332523449438.7.pdb
2403160332523449438.8.pdb
2403160332523449438.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m55.608s
user 1m55.286s
sys 0m0.284s
../../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: 2403160332523449438.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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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