*** ***
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 = 2404022125072093215.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 2404022125072093215.atom to be opened.
Openam> File opened: 2404022125072093215.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 = 599
First residue number = 27
Last residue number = 625
Number of atoms found = 4774
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -16.613911 +/- 24.195757 From: -55.374000 To: 31.544000
= 0.357794 +/- 15.485831 From: -32.076000 To: 32.829000
= -1.205066 +/- 12.875018 From: -29.180000 To: 33.813000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.7544 % Filled.
Pdbmat> 1799386 non-zero elements.
Pdbmat> 196793 atom-atom interactions.
Pdbmat> Number per atom= 82.44 +/- 20.53
Maximum number = 124
Minimum number = 11
Pdbmat> Matrix trace = 3.935860E+06
Pdbmat> Larger element = 469.048
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
599 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404022125072093215.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404022125072093215.atom to be opened.
Openam> file on opening on unit 11:
2404022125072093215.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4774 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 599 residues.
Blocpdb> 21 atoms in block 1
Block first atom: 1
Blocpdb> 23 atoms in block 2
Block first atom: 22
Blocpdb> 23 atoms in block 3
Block first atom: 45
Blocpdb> 28 atoms in block 4
Block first atom: 68
Blocpdb> 22 atoms in block 5
Block first atom: 96
Blocpdb> 26 atoms in block 6
Block first atom: 118
Blocpdb> 22 atoms in block 7
Block first atom: 144
Blocpdb> 23 atoms in block 8
Block first atom: 166
Blocpdb> 21 atoms in block 9
Block first atom: 189
Blocpdb> 22 atoms in block 10
Block first atom: 210
Blocpdb> 24 atoms in block 11
Block first atom: 232
Blocpdb> 25 atoms in block 12
Block first atom: 256
Blocpdb> 23 atoms in block 13
Block first atom: 281
Blocpdb> 25 atoms in block 14
Block first atom: 304
Blocpdb> 27 atoms in block 15
Block first atom: 329
Blocpdb> 23 atoms in block 16
Block first atom: 356
Blocpdb> 25 atoms in block 17
Block first atom: 379
Blocpdb> 26 atoms in block 18
Block first atom: 404
Blocpdb> 30 atoms in block 19
Block first atom: 430
Blocpdb> 25 atoms in block 20
Block first atom: 460
Blocpdb> 23 atoms in block 21
Block first atom: 485
Blocpdb> 24 atoms in block 22
Block first atom: 508
Blocpdb> 26 atoms in block 23
Block first atom: 532
Blocpdb> 29 atoms in block 24
Block first atom: 558
Blocpdb> 22 atoms in block 25
Block first atom: 587
Blocpdb> 24 atoms in block 26
Block first atom: 609
Blocpdb> 24 atoms in block 27
Block first atom: 633
Blocpdb> 19 atoms in block 28
Block first atom: 657
Blocpdb> 23 atoms in block 29
Block first atom: 676
Blocpdb> 26 atoms in block 30
Block first atom: 699
Blocpdb> 17 atoms in block 31
Block first atom: 725
Blocpdb> 23 atoms in block 32
Block first atom: 742
Blocpdb> 19 atoms in block 33
Block first atom: 765
Blocpdb> 23 atoms in block 34
Block first atom: 784
Blocpdb> 23 atoms in block 35
Block first atom: 807
Blocpdb> 21 atoms in block 36
Block first atom: 830
Blocpdb> 24 atoms in block 37
Block first atom: 851
Blocpdb> 19 atoms in block 38
Block first atom: 875
Blocpdb> 26 atoms in block 39
Block first atom: 894
Blocpdb> 19 atoms in block 40
Block first atom: 920
Blocpdb> 25 atoms in block 41
Block first atom: 939
Blocpdb> 24 atoms in block 42
Block first atom: 964
Blocpdb> 25 atoms in block 43
Block first atom: 988
Blocpdb> 22 atoms in block 44
Block first atom: 1013
Blocpdb> 27 atoms in block 45
Block first atom: 1035
Blocpdb> 22 atoms in block 46
Block first atom: 1062
Blocpdb> 24 atoms in block 47
Block first atom: 1084
Blocpdb> 28 atoms in block 48
Block first atom: 1108
Blocpdb> 22 atoms in block 49
Block first atom: 1136
Blocpdb> 23 atoms in block 50
Block first atom: 1158
Blocpdb> 24 atoms in block 51
Block first atom: 1181
Blocpdb> 22 atoms in block 52
Block first atom: 1205
Blocpdb> 32 atoms in block 53
Block first atom: 1227
Blocpdb> 24 atoms in block 54
Block first atom: 1259
Blocpdb> 22 atoms in block 55
Block first atom: 1283
Blocpdb> 24 atoms in block 56
Block first atom: 1305
Blocpdb> 28 atoms in block 57
Block first atom: 1329
Blocpdb> 28 atoms in block 58
Block first atom: 1357
Blocpdb> 23 atoms in block 59
Block first atom: 1385
Blocpdb> 22 atoms in block 60
Block first atom: 1408
Blocpdb> 24 atoms in block 61
Block first atom: 1430
Blocpdb> 22 atoms in block 62
Block first atom: 1454
Blocpdb> 23 atoms in block 63
Block first atom: 1476
Blocpdb> 28 atoms in block 64
Block first atom: 1499
Blocpdb> 22 atoms in block 65
Block first atom: 1527
Blocpdb> 24 atoms in block 66
Block first atom: 1549
Blocpdb> 25 atoms in block 67
Block first atom: 1573
Blocpdb> 27 atoms in block 68
Block first atom: 1598
Blocpdb> 26 atoms in block 69
Block first atom: 1625
Blocpdb> 23 atoms in block 70
Block first atom: 1651
Blocpdb> 20 atoms in block 71
Block first atom: 1674
Blocpdb> 24 atoms in block 72
Block first atom: 1694
Blocpdb> 22 atoms in block 73
Block first atom: 1718
Blocpdb> 25 atoms in block 74
Block first atom: 1740
Blocpdb> 17 atoms in block 75
Block first atom: 1765
Blocpdb> 25 atoms in block 76
Block first atom: 1782
Blocpdb> 29 atoms in block 77
Block first atom: 1807
Blocpdb> 20 atoms in block 78
Block first atom: 1836
Blocpdb> 29 atoms in block 79
Block first atom: 1856
Blocpdb> 28 atoms in block 80
Block first atom: 1885
Blocpdb> 25 atoms in block 81
Block first atom: 1913
Blocpdb> 28 atoms in block 82
Block first atom: 1938
Blocpdb> 21 atoms in block 83
Block first atom: 1966
Blocpdb> 21 atoms in block 84
Block first atom: 1987
Blocpdb> 22 atoms in block 85
Block first atom: 2008
Blocpdb> 22 atoms in block 86
Block first atom: 2030
Blocpdb> 28 atoms in block 87
Block first atom: 2052
Blocpdb> 26 atoms in block 88
Block first atom: 2080
Blocpdb> 27 atoms in block 89
Block first atom: 2106
Blocpdb> 25 atoms in block 90
Block first atom: 2133
Blocpdb> 24 atoms in block 91
Block first atom: 2158
Blocpdb> 27 atoms in block 92
Block first atom: 2182
Blocpdb> 24 atoms in block 93
Block first atom: 2209
Blocpdb> 20 atoms in block 94
Block first atom: 2233
Blocpdb> 19 atoms in block 95
Block first atom: 2253
Blocpdb> 19 atoms in block 96
Block first atom: 2272
Blocpdb> 17 atoms in block 97
Block first atom: 2291
Blocpdb> 29 atoms in block 98
Block first atom: 2308
Blocpdb> 25 atoms in block 99
Block first atom: 2337
Blocpdb> 23 atoms in block 100
Block first atom: 2362
Blocpdb> 30 atoms in block 101
Block first atom: 2385
Blocpdb> 29 atoms in block 102
Block first atom: 2415
Blocpdb> 22 atoms in block 103
Block first atom: 2444
Blocpdb> 25 atoms in block 104
Block first atom: 2466
Blocpdb> 26 atoms in block 105
Block first atom: 2491
Blocpdb> 27 atoms in block 106
Block first atom: 2517
Blocpdb> 23 atoms in block 107
Block first atom: 2544
Blocpdb> 26 atoms in block 108
Block first atom: 2567
Blocpdb> 23 atoms in block 109
Block first atom: 2593
Blocpdb> 23 atoms in block 110
Block first atom: 2616
Blocpdb> 23 atoms in block 111
Block first atom: 2639
Blocpdb> 19 atoms in block 112
Block first atom: 2662
Blocpdb> 25 atoms in block 113
Block first atom: 2681
Blocpdb> 25 atoms in block 114
Block first atom: 2706
Blocpdb> 20 atoms in block 115
Block first atom: 2731
Blocpdb> 20 atoms in block 116
Block first atom: 2751
Blocpdb> 28 atoms in block 117
Block first atom: 2771
Blocpdb> 25 atoms in block 118
Block first atom: 2799
Blocpdb> 21 atoms in block 119
Block first atom: 2824
Blocpdb> 23 atoms in block 120
Block first atom: 2845
Blocpdb> 16 atoms in block 121
Block first atom: 2868
Blocpdb> 24 atoms in block 122
Block first atom: 2884
Blocpdb> 20 atoms in block 123
Block first atom: 2908
Blocpdb> 21 atoms in block 124
Block first atom: 2928
Blocpdb> 29 atoms in block 125
Block first atom: 2949
Blocpdb> 24 atoms in block 126
Block first atom: 2978
Blocpdb> 25 atoms in block 127
Block first atom: 3002
Blocpdb> 17 atoms in block 128
Block first atom: 3027
Blocpdb> 22 atoms in block 129
Block first atom: 3044
Blocpdb> 24 atoms in block 130
Block first atom: 3066
Blocpdb> 20 atoms in block 131
Block first atom: 3090
Blocpdb> 26 atoms in block 132
Block first atom: 3110
Blocpdb> 27 atoms in block 133
Block first atom: 3136
Blocpdb> 28 atoms in block 134
Block first atom: 3163
Blocpdb> 23 atoms in block 135
Block first atom: 3191
Blocpdb> 28 atoms in block 136
Block first atom: 3214
Blocpdb> 23 atoms in block 137
Block first atom: 3242
Blocpdb> 22 atoms in block 138
Block first atom: 3265
Blocpdb> 25 atoms in block 139
Block first atom: 3287
Blocpdb> 26 atoms in block 140
Block first atom: 3312
Blocpdb> 28 atoms in block 141
Block first atom: 3338
Blocpdb> 24 atoms in block 142
Block first atom: 3366
Blocpdb> 25 atoms in block 143
Block first atom: 3390
Blocpdb> 24 atoms in block 144
Block first atom: 3415
Blocpdb> 27 atoms in block 145
Block first atom: 3439
Blocpdb> 20 atoms in block 146
Block first atom: 3466
Blocpdb> 23 atoms in block 147
Block first atom: 3486
Blocpdb> 21 atoms in block 148
Block first atom: 3509
Blocpdb> 23 atoms in block 149
Block first atom: 3530
Blocpdb> 25 atoms in block 150
Block first atom: 3553
Blocpdb> 17 atoms in block 151
Block first atom: 3578
Blocpdb> 26 atoms in block 152
Block first atom: 3595
Blocpdb> 23 atoms in block 153
Block first atom: 3621
Blocpdb> 22 atoms in block 154
Block first atom: 3644
Blocpdb> 23 atoms in block 155
Block first atom: 3666
Blocpdb> 22 atoms in block 156
Block first atom: 3689
Blocpdb> 23 atoms in block 157
Block first atom: 3711
Blocpdb> 27 atoms in block 158
Block first atom: 3734
Blocpdb> 23 atoms in block 159
Block first atom: 3761
Blocpdb> 23 atoms in block 160
Block first atom: 3784
Blocpdb> 26 atoms in block 161
Block first atom: 3807
Blocpdb> 24 atoms in block 162
Block first atom: 3833
Blocpdb> 26 atoms in block 163
Block first atom: 3857
Blocpdb> 25 atoms in block 164
Block first atom: 3883
Blocpdb> 28 atoms in block 165
Block first atom: 3908
Blocpdb> 24 atoms in block 166
Block first atom: 3936
Blocpdb> 24 atoms in block 167
Block first atom: 3960
Blocpdb> 24 atoms in block 168
Block first atom: 3984
Blocpdb> 27 atoms in block 169
Block first atom: 4008
Blocpdb> 20 atoms in block 170
Block first atom: 4035
Blocpdb> 30 atoms in block 171
Block first atom: 4055
Blocpdb> 29 atoms in block 172
Block first atom: 4085
Blocpdb> 20 atoms in block 173
Block first atom: 4114
Blocpdb> 23 atoms in block 174
Block first atom: 4134
Blocpdb> 23 atoms in block 175
Block first atom: 4157
Blocpdb> 27 atoms in block 176
Block first atom: 4180
Blocpdb> 22 atoms in block 177
Block first atom: 4207
Blocpdb> 21 atoms in block 178
Block first atom: 4229
Blocpdb> 27 atoms in block 179
Block first atom: 4250
Blocpdb> 27 atoms in block 180
Block first atom: 4277
Blocpdb> 19 atoms in block 181
Block first atom: 4304
Blocpdb> 30 atoms in block 182
Block first atom: 4323
Blocpdb> 23 atoms in block 183
Block first atom: 4353
Blocpdb> 21 atoms in block 184
Block first atom: 4376
Blocpdb> 19 atoms in block 185
Block first atom: 4397
Blocpdb> 25 atoms in block 186
Block first atom: 4416
Blocpdb> 29 atoms in block 187
Block first atom: 4441
Blocpdb> 31 atoms in block 188
Block first atom: 4470
Blocpdb> 25 atoms in block 189
Block first atom: 4501
Blocpdb> 27 atoms in block 190
Block first atom: 4526
Blocpdb> 26 atoms in block 191
Block first atom: 4553
Blocpdb> 24 atoms in block 192
Block first atom: 4579
Blocpdb> 24 atoms in block 193
Block first atom: 4603
Blocpdb> 18 atoms in block 194
Block first atom: 4627
Blocpdb> 23 atoms in block 195
Block first atom: 4645
Blocpdb> 23 atoms in block 196
Block first atom: 4668
Blocpdb> 21 atoms in block 197
Block first atom: 4691
Blocpdb> 27 atoms in block 198
Block first atom: 4712
Blocpdb> 22 atoms in block 199
Block first atom: 4739
Blocpdb> 14 atoms in block 200
Block first atom: 4760
Blocpdb> 200 blocks.
Blocpdb> At most, 32 atoms in each of them.
Blocpdb> At least, 14 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> 1799586 matrix lines read.
Prepmat> Matrix order = 14322
Prepmat> Matrix trace = 3935860.0000
Prepmat> Last element read: 14322 14322 89.4654
Prepmat> 20101 lines saved.
Prepmat> 18219 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: 4774
RTB> Total mass = 4774.0000
RTB> Number of atoms found in matrix: 4774
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 261297.3182
RTB> 64716 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: 64716
Diagstd> Projected matrix trace = 261297.3182
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 = 261297.3182
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 0.0556896 0.1351102 0.3232631 0.4876165
1.0380680 1.1878229 2.0222524 2.8766779 3.3739271
3.6078799 4.6751151 5.1375557 5.7325477 6.2140920
6.8135370 8.1029708 8.5848549 9.2761993 10.1352197
10.5108065 11.4616890 12.4132343 12.9334283 13.5795536
15.3266476 16.4500411 16.9813324 17.8461420 18.9528053
19.9308971 20.2733493 21.2382205 21.7447327 22.9858278
23.6232997 25.3611155 25.7292646 26.1302807 27.1398856
27.8259465 28.5996311 28.9735462 29.2021316 29.8392417
30.2996142 30.7330817 31.8492425 32.3027676 32.8937501
33.0724714 33.6844667 34.0259190 34.5585901 35.0348879
35.2720777 36.0480517 36.4931146 36.7772122 37.3055665
37.7108592 38.3797036 38.7247652 39.0785019 40.1217556
40.4136033 40.8925246 41.1317331 41.8812111 42.2091193
42.5174950 43.1676037 43.2390579 43.6623999 43.9607003
44.0251832 44.7415589 45.2849976 45.7811840 45.9516928
46.5315876 46.7364372 47.9398670 48.6855919 48.8206809
49.4456006 49.9182821 50.0355015 50.6804185 51.0382525
51.5218104 52.0107224 52.6548633 52.9336187 53.5384617
54.1426013 54.3639345 55.3662903 55.8897127 55.9337766
56.2138991
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034316 0.0034330 0.0034332 0.0034341
0.0034352 25.6260916 39.9153013 61.7409542 75.8288510
110.6389867 118.3507803 154.4233478 184.1793334 199.4633573
206.2629947 234.7964013 246.1351011 259.9974673 270.6974227
283.4533479 309.1131055 318.1718541 330.7351215 345.7099384
352.0572576 367.6373186 382.5936484 390.5279394 400.1640111
425.1271738 440.4319074 447.4877610 458.7408893 472.7505372
484.7956378 488.9427740 500.4426817 506.3750706 520.6254025
527.7953503 546.8641534 550.8190689 555.0950025 565.7170744
572.8227441 580.7316498 584.5156006 586.8168244 593.1836493
597.7420787 602.0025565 612.8367968 617.1846935 622.8048334
624.4944814 630.2460293 633.4323106 638.3712036 642.7552704
644.9273602 651.9828600 655.9953273 658.5438267 663.2573933
666.8505193 672.7381998 675.7556365 678.8350117 687.8365419
690.3336880 694.4120398 696.4401246 702.7565403 705.5022860
708.0747622 713.4675923 714.0578396 717.5448994 719.9918514
720.5197107 726.3581877 730.7561095 734.7486393 736.1156274
740.7458304 742.3745613 751.8716205 757.6968951 758.7473656
763.5880241 767.2291513 768.1294371 773.0638701 775.7882159
779.4546238 783.1441769 787.9787852 790.0618160 794.5627931
799.0332266 800.6647722 808.0123390 811.8227523 812.1427131
814.1738233
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4774
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: 9.9853E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9864E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9944E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.5690E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1351
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3233
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4876
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.038
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.188
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.022
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.877
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.374
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.608
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.675
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.138
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.733
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.214
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.814
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.103
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.585
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 9.276
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.51
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.46
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.41
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.93
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.58
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.45
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.98
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 17.85
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 18.95
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.93
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 20.27
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 21.74
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.36
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.73
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.13
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 27.14
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 28.60
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 29.20
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 29.84
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 30.30
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 30.73
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.85
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 32.30
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 32.89
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 33.07
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.03
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.56
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.03
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 35.27
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.05
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 36.49
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 36.78
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 37.31
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 37.71
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 38.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 39.08
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 40.12
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 40.41
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 40.89
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 41.13
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 41.88
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 42.21
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 42.52
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 43.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 43.24
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 43.96
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 44.74
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 45.28
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 45.78
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 45.95
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 46.53
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 46.74
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 47.94
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 48.69
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 48.82
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 49.45
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 49.92
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 50.04
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 50.68
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 51.04
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 51.52
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 52.01
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 52.65
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.93
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 53.54
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 54.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 54.36
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 55.37
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 55.89
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 55.93
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 56.21
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 1.00001 1.00001 0.99999 1.00003
1.00001 0.99998 0.99999 1.00000 1.00001
1.00001 0.99999 0.99999 1.00000 0.99998
1.00004 1.00003 1.00001 1.00001 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00002 0.99997 0.99999
1.00001 1.00001 0.99997 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 1.00000
1.00002 1.00000 0.99999 1.00000 1.00001
1.00001 1.00001 0.99999 1.00000 1.00001
1.00000 1.00000 1.00002 1.00000 0.99998
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 0.99999 0.99999 1.00002 1.00000
1.00002 1.00002 1.00002 1.00000 0.99999
1.00002 1.00003 0.99999 1.00001 1.00001
1.00000 1.00001 0.99999 0.99999 1.00002
1.00001 0.99999 1.00000 1.00000 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 85932 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 1.00001 1.00001 0.99999 1.00003
1.00001 0.99998 0.99999 1.00000 1.00001
1.00001 0.99999 0.99999 1.00000 0.99998
1.00004 1.00003 1.00001 1.00001 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00002 0.99997 0.99999
1.00001 1.00001 0.99997 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 1.00000
1.00002 1.00000 0.99999 1.00000 1.00001
1.00001 1.00001 0.99999 1.00000 1.00001
1.00000 1.00000 1.00002 1.00000 0.99998
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 0.99999 0.99999 1.00002 1.00000
1.00002 1.00002 1.00002 1.00000 0.99999
1.00002 1.00003 0.99999 1.00001 1.00001
1.00000 1.00001 0.99999 0.99999 1.00002
1.00001 0.99999 1.00000 1.00000 0.99998
1.00000
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> 2404022125072093215.eigenfacs
Openam> file on opening on unit 10:
2404022125072093215.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404022125072093215.atom
Openam> file on opening on unit 11:
2404022125072093215.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 = 599
First residue number = 27
Last residue number = 625
Number of atoms found = 4774
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: 9.9853E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9864E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-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: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5690E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 21.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 27.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 28.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 29.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 29.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 30.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 30.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 32.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 32.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 33.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 35.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 36.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 36.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 37.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 37.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 38.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 39.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 40.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 40.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 40.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 41.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 41.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 42.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 42.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 43.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 43.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 43.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 44.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 45.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 45.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 45.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 46.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 46.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 47.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 48.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 48.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 49.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 49.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 50.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 50.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 51.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 51.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 52.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 52.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 53.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 54.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 54.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 55.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 55.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 55.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 56.21
Bfactors> 106 vectors, 14322 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 : 0.055690
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= 0.384 for 599 C-alpha atoms.
Bfactors> = 0.120 +/- 0.12
Bfactors> = 27.848 +/- 8.90
Bfactors> Shiftng-fct= 27.728
Bfactors> Scaling-fct= 74.045
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404022125072093215 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=0
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=100
2404022125072093215.eigenfacs
2404022125072093215.atom
making animated gifs
11 models are in 2404022125072093215.7.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 2404022125072093215.7.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 2404022125072093215.7.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 2404022125072093215 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=0
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=100
2404022125072093215.eigenfacs
2404022125072093215.atom
making animated gifs
11 models are in 2404022125072093215.8.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 2404022125072093215.8.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 2404022125072093215.8.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 2404022125072093215 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=0
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=100
2404022125072093215.eigenfacs
2404022125072093215.atom
making animated gifs
11 models are in 2404022125072093215.9.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 2404022125072093215.9.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 2404022125072093215.9.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 2404022125072093215 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=0
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=100
2404022125072093215.eigenfacs
2404022125072093215.atom
making animated gifs
11 models are in 2404022125072093215.10.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 2404022125072093215.10.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 2404022125072093215.10.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 2404022125072093215 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=-20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=0
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=20
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=40
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=60
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=80
2404022125072093215.eigenfacs
2404022125072093215.atom
calculating perturbed structure for DQ=100
2404022125072093215.eigenfacs
2404022125072093215.atom
making animated gifs
11 models are in 2404022125072093215.11.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 2404022125072093215.11.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 2404022125072093215.11.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
2404022125072093215.10.pdb
2404022125072093215.11.pdb
2404022125072093215.7.pdb
2404022125072093215.8.pdb
2404022125072093215.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m31.142s
user 0m31.078s
sys 0m0.064s
../../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: 2404022125072093215.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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