*** zxy ***
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 = 2404230438531985751.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 2404230438531985751.atom to be opened.
Openam> File opened: 2404230438531985751.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 = 343
First residue number = 1
Last residue number = 343
Number of atoms found = 2790
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 21.751441 +/- 10.510593 From: -3.824000 To: 47.192000
= 4.217718 +/- 11.624906 From: -29.593000 To: 31.810000
= -44.374397 +/- 14.084632 From: -74.298000 To: -11.953000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.9318 % Filled.
Pdbmat> 1027096 non-zero elements.
Pdbmat> 112279 atom-atom interactions.
Pdbmat> Number per atom= 80.49 +/- 23.73
Maximum number = 136
Minimum number = 12
Pdbmat> Matrix trace = 2.245580E+06
Pdbmat> Larger element = 499.327
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
343 non-zero elements, NRBL set to 2
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 = 2404230438531985751.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404230438531985751.atom to be opened.
Openam> file on opening on unit 11:
2404230438531985751.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2790 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 343 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 17
Blocpdb> 12 atoms in block 3
Block first atom: 32
Blocpdb> 17 atoms in block 4
Block first atom: 44
Blocpdb> 19 atoms in block 5
Block first atom: 61
Blocpdb> 16 atoms in block 6
Block first atom: 80
Blocpdb> 18 atoms in block 7
Block first atom: 96
Blocpdb> 12 atoms in block 8
Block first atom: 114
Blocpdb> 15 atoms in block 9
Block first atom: 126
Blocpdb> 18 atoms in block 10
Block first atom: 141
Blocpdb> 14 atoms in block 11
Block first atom: 159
Blocpdb> 15 atoms in block 12
Block first atom: 173
Blocpdb> 15 atoms in block 13
Block first atom: 188
Blocpdb> 19 atoms in block 14
Block first atom: 203
Blocpdb> 18 atoms in block 15
Block first atom: 222
Blocpdb> 15 atoms in block 16
Block first atom: 240
Blocpdb> 19 atoms in block 17
Block first atom: 255
Blocpdb> 17 atoms in block 18
Block first atom: 274
Blocpdb> 17 atoms in block 19
Block first atom: 291
Blocpdb> 14 atoms in block 20
Block first atom: 308
Blocpdb> 18 atoms in block 21
Block first atom: 322
Blocpdb> 17 atoms in block 22
Block first atom: 340
Blocpdb> 15 atoms in block 23
Block first atom: 357
Blocpdb> 16 atoms in block 24
Block first atom: 372
Blocpdb> 17 atoms in block 25
Block first atom: 388
Blocpdb> 16 atoms in block 26
Block first atom: 405
Blocpdb> 21 atoms in block 27
Block first atom: 421
Blocpdb> 16 atoms in block 28
Block first atom: 442
Blocpdb> 18 atoms in block 29
Block first atom: 458
Blocpdb> 17 atoms in block 30
Block first atom: 476
Blocpdb> 20 atoms in block 31
Block first atom: 493
Blocpdb> 14 atoms in block 32
Block first atom: 513
Blocpdb> 14 atoms in block 33
Block first atom: 527
Blocpdb> 17 atoms in block 34
Block first atom: 541
Blocpdb> 19 atoms in block 35
Block first atom: 558
Blocpdb> 11 atoms in block 36
Block first atom: 577
Blocpdb> 18 atoms in block 37
Block first atom: 588
Blocpdb> 12 atoms in block 38
Block first atom: 606
Blocpdb> 20 atoms in block 39
Block first atom: 618
Blocpdb> 16 atoms in block 40
Block first atom: 638
Blocpdb> 17 atoms in block 41
Block first atom: 654
Blocpdb> 19 atoms in block 42
Block first atom: 671
Blocpdb> 18 atoms in block 43
Block first atom: 690
Blocpdb> 17 atoms in block 44
Block first atom: 708
Blocpdb> 19 atoms in block 45
Block first atom: 725
Blocpdb> 12 atoms in block 46
Block first atom: 744
Blocpdb> 12 atoms in block 47
Block first atom: 756
Blocpdb> 16 atoms in block 48
Block first atom: 768
Blocpdb> 21 atoms in block 49
Block first atom: 784
Blocpdb> 17 atoms in block 50
Block first atom: 805
Blocpdb> 20 atoms in block 51
Block first atom: 822
Blocpdb> 20 atoms in block 52
Block first atom: 842
Blocpdb> 15 atoms in block 53
Block first atom: 862
Blocpdb> 18 atoms in block 54
Block first atom: 877
Blocpdb> 15 atoms in block 55
Block first atom: 895
Blocpdb> 22 atoms in block 56
Block first atom: 910
Blocpdb> 18 atoms in block 57
Block first atom: 932
Blocpdb> 14 atoms in block 58
Block first atom: 950
Blocpdb> 14 atoms in block 59
Block first atom: 964
Blocpdb> 13 atoms in block 60
Block first atom: 978
Blocpdb> 16 atoms in block 61
Block first atom: 991
Blocpdb> 20 atoms in block 62
Block first atom: 1007
Blocpdb> 19 atoms in block 63
Block first atom: 1027
Blocpdb> 15 atoms in block 64
Block first atom: 1046
Blocpdb> 16 atoms in block 65
Block first atom: 1061
Blocpdb> 23 atoms in block 66
Block first atom: 1077
Blocpdb> 16 atoms in block 67
Block first atom: 1100
Blocpdb> 17 atoms in block 68
Block first atom: 1116
Blocpdb> 16 atoms in block 69
Block first atom: 1133
Blocpdb> 15 atoms in block 70
Block first atom: 1149
Blocpdb> 16 atoms in block 71
Block first atom: 1164
Blocpdb> 15 atoms in block 72
Block first atom: 1180
Blocpdb> 14 atoms in block 73
Block first atom: 1195
Blocpdb> 17 atoms in block 74
Block first atom: 1209
Blocpdb> 15 atoms in block 75
Block first atom: 1226
Blocpdb> 20 atoms in block 76
Block first atom: 1241
Blocpdb> 12 atoms in block 77
Block first atom: 1261
Blocpdb> 15 atoms in block 78
Block first atom: 1273
Blocpdb> 13 atoms in block 79
Block first atom: 1288
Blocpdb> 19 atoms in block 80
Block first atom: 1301
Blocpdb> 11 atoms in block 81
Block first atom: 1320
Blocpdb> 15 atoms in block 82
Block first atom: 1331
Blocpdb> 13 atoms in block 83
Block first atom: 1346
Blocpdb> 20 atoms in block 84
Block first atom: 1359
Blocpdb> 10 atoms in block 85
Block first atom: 1379
Blocpdb> 14 atoms in block 86
Block first atom: 1389
Blocpdb> 20 atoms in block 87
Block first atom: 1403
Blocpdb> 13 atoms in block 88
Block first atom: 1423
Blocpdb> 16 atoms in block 89
Block first atom: 1436
Blocpdb> 16 atoms in block 90
Block first atom: 1452
Blocpdb> 15 atoms in block 91
Block first atom: 1468
Blocpdb> 17 atoms in block 92
Block first atom: 1483
Blocpdb> 16 atoms in block 93
Block first atom: 1500
Blocpdb> 17 atoms in block 94
Block first atom: 1516
Blocpdb> 15 atoms in block 95
Block first atom: 1533
Blocpdb> 28 atoms in block 96
Block first atom: 1548
Blocpdb> 13 atoms in block 97
Block first atom: 1576
Blocpdb> 11 atoms in block 98
Block first atom: 1589
Blocpdb> 16 atoms in block 99
Block first atom: 1600
Blocpdb> 20 atoms in block 100
Block first atom: 1616
Blocpdb> 16 atoms in block 101
Block first atom: 1636
Blocpdb> 9 atoms in block 102
Block first atom: 1652
Blocpdb> 17 atoms in block 103
Block first atom: 1661
Blocpdb> 18 atoms in block 104
Block first atom: 1678
Blocpdb> 16 atoms in block 105
Block first atom: 1696
Blocpdb> 11 atoms in block 106
Block first atom: 1712
Blocpdb> 12 atoms in block 107
Block first atom: 1723
Blocpdb> 16 atoms in block 108
Block first atom: 1735
Blocpdb> 15 atoms in block 109
Block first atom: 1751
Blocpdb> 17 atoms in block 110
Block first atom: 1766
Blocpdb> 16 atoms in block 111
Block first atom: 1783
Blocpdb> 20 atoms in block 112
Block first atom: 1799
Blocpdb> 19 atoms in block 113
Block first atom: 1819
Blocpdb> 16 atoms in block 114
Block first atom: 1838
Blocpdb> 16 atoms in block 115
Block first atom: 1854
Blocpdb> 18 atoms in block 116
Block first atom: 1870
Blocpdb> 17 atoms in block 117
Block first atom: 1888
Blocpdb> 19 atoms in block 118
Block first atom: 1905
Blocpdb> 18 atoms in block 119
Block first atom: 1924
Blocpdb> 14 atoms in block 120
Block first atom: 1942
Blocpdb> 13 atoms in block 121
Block first atom: 1956
Blocpdb> 14 atoms in block 122
Block first atom: 1969
Blocpdb> 11 atoms in block 123
Block first atom: 1983
Blocpdb> 15 atoms in block 124
Block first atom: 1994
Blocpdb> 15 atoms in block 125
Block first atom: 2009
Blocpdb> 19 atoms in block 126
Block first atom: 2024
Blocpdb> 17 atoms in block 127
Block first atom: 2043
Blocpdb> 15 atoms in block 128
Block first atom: 2060
Blocpdb> 18 atoms in block 129
Block first atom: 2075
Blocpdb> 19 atoms in block 130
Block first atom: 2093
Blocpdb> 10 atoms in block 131
Block first atom: 2112
Blocpdb> 17 atoms in block 132
Block first atom: 2122
Blocpdb> 16 atoms in block 133
Block first atom: 2139
Blocpdb> 15 atoms in block 134
Block first atom: 2155
Blocpdb> 13 atoms in block 135
Block first atom: 2170
Blocpdb> 17 atoms in block 136
Block first atom: 2183
Blocpdb> 14 atoms in block 137
Block first atom: 2200
Blocpdb> 18 atoms in block 138
Block first atom: 2214
Blocpdb> 22 atoms in block 139
Block first atom: 2232
Blocpdb> 15 atoms in block 140
Block first atom: 2254
Blocpdb> 22 atoms in block 141
Block first atom: 2269
Blocpdb> 16 atoms in block 142
Block first atom: 2291
Blocpdb> 17 atoms in block 143
Block first atom: 2307
Blocpdb> 18 atoms in block 144
Block first atom: 2324
Blocpdb> 16 atoms in block 145
Block first atom: 2342
Blocpdb> 14 atoms in block 146
Block first atom: 2358
Blocpdb> 18 atoms in block 147
Block first atom: 2372
Blocpdb> 16 atoms in block 148
Block first atom: 2390
Blocpdb> 16 atoms in block 149
Block first atom: 2406
Blocpdb> 10 atoms in block 150
Block first atom: 2422
Blocpdb> 20 atoms in block 151
Block first atom: 2432
Blocpdb> 12 atoms in block 152
Block first atom: 2452
Blocpdb> 16 atoms in block 153
Block first atom: 2464
Blocpdb> 19 atoms in block 154
Block first atom: 2480
Blocpdb> 15 atoms in block 155
Block first atom: 2499
Blocpdb> 18 atoms in block 156
Block first atom: 2514
Blocpdb> 17 atoms in block 157
Block first atom: 2532
Blocpdb> 14 atoms in block 158
Block first atom: 2549
Blocpdb> 17 atoms in block 159
Block first atom: 2563
Blocpdb> 16 atoms in block 160
Block first atom: 2580
Blocpdb> 16 atoms in block 161
Block first atom: 2596
Blocpdb> 16 atoms in block 162
Block first atom: 2612
Blocpdb> 15 atoms in block 163
Block first atom: 2628
Blocpdb> 20 atoms in block 164
Block first atom: 2643
Blocpdb> 16 atoms in block 165
Block first atom: 2663
Blocpdb> 15 atoms in block 166
Block first atom: 2679
Blocpdb> 20 atoms in block 167
Block first atom: 2694
Blocpdb> 13 atoms in block 168
Block first atom: 2714
Blocpdb> 20 atoms in block 169
Block first atom: 2727
Blocpdb> 20 atoms in block 170
Block first atom: 2747
Blocpdb> 15 atoms in block 171
Block first atom: 2767
Blocpdb> 9 atoms in block 172
Block first atom: 2781
Blocpdb> 172 blocks.
Blocpdb> At most, 28 atoms in each of them.
Blocpdb> At least, 9 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> 1027268 matrix lines read.
Prepmat> Matrix order = 8370
Prepmat> Matrix trace = 2245580.0000
Prepmat> Last element read: 8370 8370 112.3082
Prepmat> 14879 lines saved.
Prepmat> 13038 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: 2790
RTB> Total mass = 2790.0000
RTB> Number of atoms found in matrix: 2790
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 231669.1641
RTB> 63660 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 = 1032
Diagstd> Nb of non-zero elements: 63660
Diagstd> Projected matrix trace = 231669.1641
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 231669.1641
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 1.0429291 1.3470435 2.7708015 3.5088961
4.9737999 5.8056713 6.6787215 7.4886459 7.5506922
9.3741408 9.7134363 10.9568854 11.4389119 11.8443309
12.3958199 13.0338921 13.5229352 14.3495890 14.8149300
15.5602282 16.3934490 16.8416312 17.5545487 17.7855477
18.8827653 19.8606848 20.5007633 20.8162457 21.0312029
22.1626751 22.7020109 23.4128579 23.5426420 23.9529268
24.8893020 25.4781132 25.9838175 26.7279542 27.2104648
28.3355642 29.1629026 29.4531576 29.7532280 30.0794801
30.7910415 31.0951253 31.7960184 31.8922591 32.6481225
32.8505704 34.4705374 34.8247730 35.5187535 35.6336035
36.4571333 37.0471595 37.1794861 39.5930834 40.1226791
40.3772087 40.8212935 41.2951344 41.9276108 42.7513475
43.0563121 44.4768090 44.5709246 44.8225646 45.9805171
46.5146493 46.7426985 46.8190282 47.6271830 48.1329455
49.4093847 49.5428849 50.4491829 50.9659044 51.7708146
52.1018685 52.4460473 53.2045407 53.7458597 54.2584451
55.3973285 55.5970476 55.9971799 56.7642878 57.5467589
58.2081893 58.3334626 58.9861953 59.6678929 59.7172588
60.3002387 60.4078243 60.9949651 61.1842537 61.7932987
62.2564408
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034321 0.0034337 0.0034341 0.0034349
0.0034352 110.8977348 126.0335291 180.7581906 203.4138568
242.1806473 261.6504592 280.6350727 297.1645017 298.3930233
332.4765473 338.4400329 359.4502906 367.2718466 373.7236190
382.3251868 392.0417693 399.3289201 411.3533241 417.9699726
428.3544279 439.6736587 445.6432750 454.9777041 457.9614298
471.8762051 483.9409692 491.6774561 495.4461781 497.9976993
511.2182750 517.4012153 525.4392301 526.8935464 531.4648837
541.7533915 548.1241173 553.5371316 561.4074090 566.4521907
578.0444187 586.4225391 589.3336113 592.3280852 595.5667496
602.5699499 605.5380470 612.3245187 613.2505159 620.4751399
622.3959212 637.5574242 640.8249722 647.1785851 648.2240677
655.6718498 660.9562870 662.1356504 683.2898080 687.8444580
690.0227768 693.8069748 697.8221046 703.1457202 710.0193498
712.5472933 724.2059537 724.9717801 727.0154345 736.3464643
740.6109958 742.4242873 743.0302209 749.4155973 753.3841856
763.3083318 764.3388352 771.2982549 775.2381707 781.3359005
783.8300868 786.4147694 792.0810615 796.1002992 799.8875779
808.2387925 809.6944173 812.6028818 818.1498913 823.7695118
828.4901034 829.3811462 834.0084915 838.8139243 839.1608467
843.2469827 843.9988934 848.0906475 849.4055881 853.6227284
856.8157170
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2790
Rtb_to_modes> Number of blocs = 172
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: 9.9869E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9894E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.043
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.347
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.771
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.509
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.974
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.806
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.679
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.489
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.551
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.374
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.713
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.96
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.44
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.40
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.03
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.52
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.35
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 15.56
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.79
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.86
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.50
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.03
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 22.16
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.70
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 23.41
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.54
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.95
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.89
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.48
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.98
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.73
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.34
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 29.16
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 29.45
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 30.08
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 30.79
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.80
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 31.89
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 32.85
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 34.47
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.82
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 35.52
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.63
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.05
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 37.18
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 39.59
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 40.12
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.38
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.82
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 41.30
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.93
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 43.06
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 44.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.57
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.98
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 46.51
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.74
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 46.82
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 47.63
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 48.13
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 49.41
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.54
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 50.45
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.97
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 51.77
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 52.10
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 52.45
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 53.20
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.75
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 54.26
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 55.40
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 55.60
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 56.00
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 56.76
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 57.55
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 58.21
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 58.33
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 58.99
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 59.67
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 59.72
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 60.30
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 60.41
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 60.99
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 61.18
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 61.79
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 62.26
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00001
0.99999 0.99997 1.00000 0.99999 1.00000
1.00005 1.00001 1.00001 0.99999 1.00001
0.99999 1.00002 1.00003 0.99999 1.00001
1.00000 0.99997 0.99995 0.99999 0.99998
0.99999 0.99998 1.00000 0.99997 1.00003
1.00001 1.00002 1.00003 0.99999 1.00001
1.00002 1.00000 1.00002 1.00002 1.00002
1.00001 1.00002 1.00001 0.99999 0.99999
1.00001 1.00003 1.00003 0.99999 1.00001
1.00000 1.00000 1.00003 1.00001 1.00002
1.00000 1.00001 0.99999 0.99998 1.00001
1.00001 1.00002 0.99998 0.99998 1.00003
0.99999 0.99997 0.99998 1.00003 1.00000
1.00000 1.00001 0.99999 0.99999 0.99998
1.00001 1.00002 1.00000 1.00002 0.99998
1.00001 1.00000 1.00001 0.99997 0.99999
0.99998 1.00001 0.99999 1.00000 1.00000
0.99998 1.00000 1.00000 0.99999 0.99998
0.99999 0.99998 1.00000 1.00000 0.99999
1.00003 1.00000 1.00000 1.00000 0.99998
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 50220 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00001
0.99999 0.99997 1.00000 0.99999 1.00000
1.00005 1.00001 1.00001 0.99999 1.00001
0.99999 1.00002 1.00003 0.99999 1.00001
1.00000 0.99997 0.99995 0.99999 0.99998
0.99999 0.99998 1.00000 0.99997 1.00003
1.00001 1.00002 1.00003 0.99999 1.00001
1.00002 1.00000 1.00002 1.00002 1.00002
1.00001 1.00002 1.00001 0.99999 0.99999
1.00001 1.00003 1.00003 0.99999 1.00001
1.00000 1.00000 1.00003 1.00001 1.00002
1.00000 1.00001 0.99999 0.99998 1.00001
1.00001 1.00002 0.99998 0.99998 1.00003
0.99999 0.99997 0.99998 1.00003 1.00000
1.00000 1.00001 0.99999 0.99999 0.99998
1.00001 1.00002 1.00000 1.00002 0.99998
1.00001 1.00000 1.00001 0.99997 0.99999
0.99998 1.00001 0.99999 1.00000 1.00000
0.99998 1.00000 1.00000 0.99999 0.99998
0.99999 0.99998 1.00000 1.00000 0.99999
1.00003 1.00000 1.00000 1.00000 0.99998
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000-0.000-0.000
Vector 8: 0.000 0.000-0.000-0.000 0.000 0.000 0.000
Vector 9: 0.000 0.000-0.000-0.000-0.000 0.000 0.000-0.000
Vector 10:-0.000-0.000 0.000 0.000-0.000-0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404230438531985751.eigenfacs
Openam> file on opening on unit 10:
2404230438531985751.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404230438531985751.atom
Openam> file on opening on unit 11:
2404230438531985751.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 = 343
First residue number = 1
Last residue number = 343
Number of atoms found = 2790
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9869E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-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: 1.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 22.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 23.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 29.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 29.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 30.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 30.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 31.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 32.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 34.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 35.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 37.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 39.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 40.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 41.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 43.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 44.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 46.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 46.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 47.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 48.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 49.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 50.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 51.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 52.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 52.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 53.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 54.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 55.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 55.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 56.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 56.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 57.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 58.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 58.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 58.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 59.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 59.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 60.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 60.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 60.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 61.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 61.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 62.26
Bfactors> 106 vectors, 8370 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 : 1.043000
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= -0.033 for 343 C-alpha atoms.
Bfactors> = 0.031 +/- 0.03
Bfactors> = 994.159 +/- 76.14
Bfactors> Shiftng-fct= 994.128
Bfactors> Scaling-fct= 2227.319
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404230438531985751 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=0
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=100
2404230438531985751.eigenfacs
2404230438531985751.atom
making animated gifs
11 models are in 2404230438531985751.7.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 2404230438531985751.7.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 2404230438531985751.7.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 2404230438531985751 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=0
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=100
2404230438531985751.eigenfacs
2404230438531985751.atom
making animated gifs
11 models are in 2404230438531985751.8.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 2404230438531985751.8.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 2404230438531985751.8.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 2404230438531985751 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=0
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=100
2404230438531985751.eigenfacs
2404230438531985751.atom
making animated gifs
11 models are in 2404230438531985751.9.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 2404230438531985751.9.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 2404230438531985751.9.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 2404230438531985751 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=0
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=100
2404230438531985751.eigenfacs
2404230438531985751.atom
making animated gifs
11 models are in 2404230438531985751.10.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 2404230438531985751.10.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 2404230438531985751.10.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 2404230438531985751 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=-20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=0
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=20
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=40
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=60
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=80
2404230438531985751.eigenfacs
2404230438531985751.atom
calculating perturbed structure for DQ=100
2404230438531985751.eigenfacs
2404230438531985751.atom
making animated gifs
11 models are in 2404230438531985751.11.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 2404230438531985751.11.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 2404230438531985751.11.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
2404230438531985751.10.pdb
2404230438531985751.11.pdb
2404230438531985751.7.pdb
2404230438531985751.8.pdb
2404230438531985751.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m17.358s
user 0m17.326s
sys 0m0.032s
../../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: 2404230438531985751.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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