*** TRANSPORT PROTEIN 21-OCT-10 3APU ***
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 = 240110225702578652.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 240110225702578652.atom to be opened.
Openam> File opened: 240110225702578652.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 = 347
First residue number = 1
Last residue number = 173
Number of atoms found = 2903
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= 11.165840 +/- 9.056822 From: -11.888000 To: 35.683000
= 1.298309 +/- 9.249596 From: -22.740000 To: 23.155000
= 29.979185 +/- 18.402487 From: -12.657000 To: 70.447000
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 2.8451 % Filled.
Pdbmat> 1079067 non-zero elements.
Pdbmat> 117981 atom-atom interactions.
Pdbmat> Number per atom= 81.28 +/- 22.91
Maximum number = 127
Minimum number = 16
Pdbmat> Matrix trace = 2.359620E+06
Pdbmat> Larger element = 502.253
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
347 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 = 240110225702578652.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 240110225702578652.atom to be opened.
Openam> file on opening on unit 11:
240110225702578652.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2903 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> 347 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 18
Blocpdb> 11 atoms in block 3
Block first atom: 33
Blocpdb> 16 atoms in block 4
Block first atom: 44
Blocpdb> 14 atoms in block 5
Block first atom: 60
Blocpdb> 14 atoms in block 6
Block first atom: 74
Blocpdb> 15 atoms in block 7
Block first atom: 88
Blocpdb> 13 atoms in block 8
Block first atom: 103
Blocpdb> 15 atoms in block 9
Block first atom: 116
Blocpdb> 19 atoms in block 10
Block first atom: 131
Blocpdb> 15 atoms in block 11
Block first atom: 150
Blocpdb> 13 atoms in block 12
Block first atom: 165
Blocpdb> 25 atoms in block 13
Block first atom: 178
Blocpdb> 20 atoms in block 14
Block first atom: 203
Blocpdb> 11 atoms in block 15
Block first atom: 223
Blocpdb> 16 atoms in block 16
Block first atom: 234
Blocpdb> 19 atoms in block 17
Block first atom: 250
Blocpdb> 18 atoms in block 18
Block first atom: 269
Blocpdb> 20 atoms in block 19
Block first atom: 287
Blocpdb> 15 atoms in block 20
Block first atom: 307
Blocpdb> 16 atoms in block 21
Block first atom: 322
Blocpdb> 17 atoms in block 22
Block first atom: 338
Blocpdb> 14 atoms in block 23
Block first atom: 355
Blocpdb> 18 atoms in block 24
Block first atom: 369
Blocpdb> 23 atoms in block 25
Block first atom: 387
Blocpdb> 18 atoms in block 26
Block first atom: 410
Blocpdb> 15 atoms in block 27
Block first atom: 428
Blocpdb> 16 atoms in block 28
Block first atom: 443
Blocpdb> 17 atoms in block 29
Block first atom: 459
Blocpdb> 15 atoms in block 30
Block first atom: 476
Blocpdb> 19 atoms in block 31
Block first atom: 491
Blocpdb> 20 atoms in block 32
Block first atom: 510
Blocpdb> 21 atoms in block 33
Block first atom: 530
Blocpdb> 18 atoms in block 34
Block first atom: 551
Blocpdb> 17 atoms in block 35
Block first atom: 569
Blocpdb> 15 atoms in block 36
Block first atom: 586
Blocpdb> 23 atoms in block 37
Block first atom: 601
Blocpdb> 14 atoms in block 38
Block first atom: 624
Blocpdb> 18 atoms in block 39
Block first atom: 638
Blocpdb> 16 atoms in block 40
Block first atom: 656
Blocpdb> 16 atoms in block 41
Block first atom: 672
Blocpdb> 20 atoms in block 42
Block first atom: 688
Blocpdb> 12 atoms in block 43
Block first atom: 708
Blocpdb> 14 atoms in block 44
Block first atom: 720
Blocpdb> 17 atoms in block 45
Block first atom: 734
Blocpdb> 21 atoms in block 46
Block first atom: 751
Blocpdb> 8 atoms in block 47
Block first atom: 772
Blocpdb> 20 atoms in block 48
Block first atom: 780
Blocpdb> 17 atoms in block 49
Block first atom: 800
Blocpdb> 15 atoms in block 50
Block first atom: 817
Blocpdb> 16 atoms in block 51
Block first atom: 832
Blocpdb> 19 atoms in block 52
Block first atom: 848
Blocpdb> 19 atoms in block 53
Block first atom: 867
Blocpdb> 16 atoms in block 54
Block first atom: 886
Blocpdb> 15 atoms in block 55
Block first atom: 902
Blocpdb> 19 atoms in block 56
Block first atom: 917
Blocpdb> 10 atoms in block 57
Block first atom: 936
Blocpdb> 20 atoms in block 58
Block first atom: 946
Blocpdb> 16 atoms in block 59
Block first atom: 966
Blocpdb> 18 atoms in block 60
Block first atom: 982
Blocpdb> 22 atoms in block 61
Block first atom: 1000
Blocpdb> 12 atoms in block 62
Block first atom: 1022
Blocpdb> 17 atoms in block 63
Block first atom: 1034
Blocpdb> 17 atoms in block 64
Block first atom: 1051
Blocpdb> 17 atoms in block 65
Block first atom: 1068
Blocpdb> 16 atoms in block 66
Block first atom: 1085
Blocpdb> 14 atoms in block 67
Block first atom: 1101
Blocpdb> 18 atoms in block 68
Block first atom: 1115
Blocpdb> 17 atoms in block 69
Block first atom: 1133
Blocpdb> 13 atoms in block 70
Block first atom: 1150
Blocpdb> 23 atoms in block 71
Block first atom: 1163
Blocpdb> 14 atoms in block 72
Block first atom: 1186
Blocpdb> 16 atoms in block 73
Block first atom: 1200
Blocpdb> 14 atoms in block 74
Block first atom: 1216
Blocpdb> 19 atoms in block 75
Block first atom: 1230
Blocpdb> 18 atoms in block 76
Block first atom: 1249
Blocpdb> 14 atoms in block 77
Block first atom: 1267
Blocpdb> 15 atoms in block 78
Block first atom: 1281
Blocpdb> 19 atoms in block 79
Block first atom: 1296
Blocpdb> 22 atoms in block 80
Block first atom: 1315
Blocpdb> 18 atoms in block 81
Block first atom: 1337
Blocpdb> 17 atoms in block 82
Block first atom: 1355
Blocpdb> 15 atoms in block 83
Block first atom: 1372
Blocpdb> 15 atoms in block 84
Block first atom: 1387
Blocpdb> 18 atoms in block 85
Block first atom: 1402
Blocpdb> 19 atoms in block 86
Block first atom: 1420
Blocpdb> 18 atoms in block 87
Block first atom: 1439
Blocpdb> 9 atoms in block 88
Block first atom: 1457
Blocpdb> 15 atoms in block 89
Block first atom: 1466
Blocpdb> 14 atoms in block 90
Block first atom: 1481
Blocpdb> 13 atoms in block 91
Block first atom: 1495
Blocpdb> 15 atoms in block 92
Block first atom: 1508
Blocpdb> 14 atoms in block 93
Block first atom: 1523
Blocpdb> 15 atoms in block 94
Block first atom: 1537
Blocpdb> 15 atoms in block 95
Block first atom: 1552
Blocpdb> 12 atoms in block 96
Block first atom: 1567
Blocpdb> 16 atoms in block 97
Block first atom: 1579
Blocpdb> 19 atoms in block 98
Block first atom: 1595
Blocpdb> 11 atoms in block 99
Block first atom: 1614
Blocpdb> 23 atoms in block 100
Block first atom: 1625
Blocpdb> 23 atoms in block 101
Block first atom: 1648
Blocpdb> 13 atoms in block 102
Block first atom: 1671
Blocpdb> 11 atoms in block 103
Block first atom: 1684
Blocpdb> 22 atoms in block 104
Block first atom: 1695
Blocpdb> 17 atoms in block 105
Block first atom: 1717
Blocpdb> 21 atoms in block 106
Block first atom: 1734
Blocpdb> 17 atoms in block 107
Block first atom: 1755
Blocpdb> 13 atoms in block 108
Block first atom: 1772
Blocpdb> 18 atoms in block 109
Block first atom: 1785
Blocpdb> 17 atoms in block 110
Block first atom: 1803
Blocpdb> 12 atoms in block 111
Block first atom: 1820
Blocpdb> 22 atoms in block 112
Block first atom: 1832
Blocpdb> 23 atoms in block 113
Block first atom: 1854
Blocpdb> 14 atoms in block 114
Block first atom: 1877
Blocpdb> 17 atoms in block 115
Block first atom: 1891
Blocpdb> 16 atoms in block 116
Block first atom: 1908
Blocpdb> 15 atoms in block 117
Block first atom: 1924
Blocpdb> 19 atoms in block 118
Block first atom: 1939
Blocpdb> 19 atoms in block 119
Block first atom: 1958
Blocpdb> 21 atoms in block 120
Block first atom: 1977
Blocpdb> 16 atoms in block 121
Block first atom: 1998
Blocpdb> 20 atoms in block 122
Block first atom: 2014
Blocpdb> 17 atoms in block 123
Block first atom: 2034
Blocpdb> 17 atoms in block 124
Block first atom: 2051
Blocpdb> 20 atoms in block 125
Block first atom: 2068
Blocpdb> 12 atoms in block 126
Block first atom: 2088
Blocpdb> 20 atoms in block 127
Block first atom: 2100
Blocpdb> 15 atoms in block 128
Block first atom: 2120
Blocpdb> 20 atoms in block 129
Block first atom: 2135
Blocpdb> 17 atoms in block 130
Block first atom: 2155
Blocpdb> 11 atoms in block 131
Block first atom: 2172
Blocpdb> 13 atoms in block 132
Block first atom: 2183
Blocpdb> 23 atoms in block 133
Block first atom: 2196
Blocpdb> 13 atoms in block 134
Block first atom: 2219
Blocpdb> 15 atoms in block 135
Block first atom: 2232
Blocpdb> 19 atoms in block 136
Block first atom: 2247
Blocpdb> 12 atoms in block 137
Block first atom: 2266
Blocpdb> 18 atoms in block 138
Block first atom: 2278
Blocpdb> 19 atoms in block 139
Block first atom: 2296
Blocpdb> 19 atoms in block 140
Block first atom: 2315
Blocpdb> 15 atoms in block 141
Block first atom: 2334
Blocpdb> 16 atoms in block 142
Block first atom: 2349
Blocpdb> 16 atoms in block 143
Block first atom: 2365
Blocpdb> 15 atoms in block 144
Block first atom: 2381
Blocpdb> 18 atoms in block 145
Block first atom: 2396
Blocpdb> 16 atoms in block 146
Block first atom: 2414
Blocpdb> 17 atoms in block 147
Block first atom: 2430
Blocpdb> 17 atoms in block 148
Block first atom: 2447
Blocpdb> 18 atoms in block 149
Block first atom: 2464
Blocpdb> 14 atoms in block 150
Block first atom: 2482
Blocpdb> 23 atoms in block 151
Block first atom: 2496
Blocpdb> 13 atoms in block 152
Block first atom: 2519
Blocpdb> 16 atoms in block 153
Block first atom: 2532
Blocpdb> 16 atoms in block 154
Block first atom: 2548
Blocpdb> 16 atoms in block 155
Block first atom: 2564
Blocpdb> 18 atoms in block 156
Block first atom: 2580
Blocpdb> 12 atoms in block 157
Block first atom: 2598
Blocpdb> 20 atoms in block 158
Block first atom: 2610
Blocpdb> 21 atoms in block 159
Block first atom: 2630
Blocpdb> 13 atoms in block 160
Block first atom: 2651
Blocpdb> 14 atoms in block 161
Block first atom: 2664
Blocpdb> 19 atoms in block 162
Block first atom: 2678
Blocpdb> 15 atoms in block 163
Block first atom: 2697
Blocpdb> 17 atoms in block 164
Block first atom: 2712
Blocpdb> 15 atoms in block 165
Block first atom: 2729
Blocpdb> 20 atoms in block 166
Block first atom: 2744
Blocpdb> 15 atoms in block 167
Block first atom: 2764
Blocpdb> 23 atoms in block 168
Block first atom: 2779
Blocpdb> 17 atoms in block 169
Block first atom: 2802
Blocpdb> 15 atoms in block 170
Block first atom: 2819
Blocpdb> 16 atoms in block 171
Block first atom: 2834
Blocpdb> 17 atoms in block 172
Block first atom: 2850
Blocpdb> 18 atoms in block 173
Block first atom: 2867
Blocpdb> 19 atoms in block 174
Block first atom: 2884
Blocpdb> 174 blocks.
Blocpdb> At most, 25 atoms in each of them.
Blocpdb> At least, 8 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> 1079241 matrix lines read.
Prepmat> Matrix order = 8709
Prepmat> Matrix trace = 2359620.0000
Prepmat> Last element read: 8709 8709 44.2891
Prepmat> 15226 lines saved.
Prepmat> 13374 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: 2903
RTB> Total mass = 2903.0000
RTB> Number of atoms found in matrix: 2903
RTB> Number of blocks = 174
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 236588.1285
RTB> 64026 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 = 1044
Diagstd> Nb of non-zero elements: 64026
Diagstd> Projected matrix trace = 236588.1285
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1044 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 236588.1285
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 1.0583479 1.5114668 1.9264942 4.4132653
4.8882691 5.5306831 6.4143338 7.1772389 9.0896998
10.1127786 10.4975320 11.1054672 11.9566977 12.5109603
13.5409442 14.2935663 15.4895795 15.6977302 16.3128243
17.1768323 17.3007877 17.7385424 17.9698771 18.4574827
19.1461182 19.3413768 20.2607204 20.9490718 21.0538875
21.4232423 22.3253741 22.9474916 23.5220694 23.9830095
24.3610763 24.8749656 25.0229031 26.1163808 26.2689599
27.3952563 28.5536063 28.7305902 30.2356649 30.7178789
31.1246196 31.3560269 32.1653657 33.0403659 33.5699178
34.1670125 34.4338317 34.8536934 35.3653947 36.2914998
37.4014720 37.8153055 38.1576878 38.6864567 39.1613491
40.8301648 41.2940286 41.8140058 42.7102103 42.8210024
43.4054061 43.8253936 44.5051095 45.2913070 45.9691637
46.6669425 47.0177682 47.2314406 47.4959971 48.5208101
48.7501528 49.3379687 49.7153060 49.9496202 50.6914017
51.0510819 51.4945864 52.5388218 53.3807727 53.9923385
54.2035274 54.9330806 55.8758871 56.3305206 57.1990250
57.9641572 58.3304772 58.7166628 59.4591877 59.6591745
60.5431313 60.8730010 61.1605082 61.5283566 62.2404926
62.8692130
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034326 0.0034326 0.0034326 0.0034330
0.0034331 111.7144878 133.5040966 150.7228628 228.1262698
240.0893149 255.3786985 275.0242946 290.9202693 327.3934990
345.3269960 351.8348733 361.8792628 375.4921871 384.0967247
399.5947319 410.5495507 427.3808856 430.2428984 438.5911448
450.0562711 451.6772515 457.3558579 460.3284680 466.5320837
475.1553763 477.5721290 488.7904606 497.0243574 498.2662015
502.6178182 513.0913024 520.1910666 526.6632851 531.7985147
535.9737449 541.5973422 543.2054605 554.9473428 556.5660598
568.3723783 580.2641824 582.0597311 597.1109587 601.8536406
605.8251612 608.0731045 615.8706772 624.1912905 629.1734956
634.7442619 637.2178847 641.0910052 645.7799168 654.1807168
664.1094006 667.7733565 670.7895762 675.4213082 679.5542025
693.8823592 697.8127611 702.1924694 709.6776614 710.5975321
715.4300735 718.8829657 724.4363225 730.8070143 736.2555505
741.8224194 744.6055781 746.2955915 748.3827783 756.4135537
758.1991109 762.7564923 765.6677212 767.4699425 773.1476327
775.8857141 779.2486658 787.1100271 793.3918016 797.9236713
799.4826718 804.8450132 811.7223347 815.0179295 821.2768730
826.7515983 829.3599228 832.1008437 837.3456458 838.7526401
844.9435982 847.2423120 849.2407459 851.7907861 856.7059653
861.0220874
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2903
Rtb_to_modes> Number of blocs = 174
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: 9.9896E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9919E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9920E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9922E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9943E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.058
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.511
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.926
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.413
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.888
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.531
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.414
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.177
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.090
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.50
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.96
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.51
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.54
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.29
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.49
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.70
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.31
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.18
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.74
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.97
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.46
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.15
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.34
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.26
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.95
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.05
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.42
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.33
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.52
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.98
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.36
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.87
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.02
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.12
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.27
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 27.40
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 28.55
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.73
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 30.24
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 30.72
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.12
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 31.36
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 32.17
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 33.57
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 34.17
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 34.43
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.85
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 35.37
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.29
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.82
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.16
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.69
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.16
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.83
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 41.29
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 42.71
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.82
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 43.41
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.83
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.51
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 45.29
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.97
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 47.02
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 47.23
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 47.50
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 48.52
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 48.75
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.34
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.72
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 49.95
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.69
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.49
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.38
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 54.20
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.93
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 55.88
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 56.33
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 57.20
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 57.96
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 58.33
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 58.72
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 59.46
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 59.66
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 60.54
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 60.87
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 61.16
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 61.53
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 62.24
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 62.87
Rtb_to_modes> 106 vectors, with 1044 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
1.00002 0.99998 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 1.00000 0.99999
1.00000 0.99998 1.00002 1.00000 1.00003
1.00002 1.00002 1.00000 0.99999 0.99999
1.00003 1.00000 0.99999 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 0.99996 1.00001 1.00003 0.99999
1.00000 0.99999 1.00001 1.00001 1.00000
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000 1.00003 1.00000 0.99998 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
1.00001 1.00002 1.00001 1.00001 1.00000
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 1.00000 1.00001 1.00003 0.99999
0.99999 0.99999 0.99999 0.99999 1.00000
0.99999 1.00002 1.00000 0.99998 1.00001
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 52254 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 0.99999 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
1.00002 0.99998 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 1.00000 0.99999
1.00000 0.99998 1.00002 1.00000 1.00003
1.00002 1.00002 1.00000 0.99999 0.99999
1.00003 1.00000 0.99999 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 0.99996 1.00001 1.00003 0.99999
1.00000 0.99999 1.00001 1.00001 1.00000
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000 1.00003 1.00000 0.99998 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
1.00001 1.00002 1.00001 1.00001 1.00000
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 1.00000 1.00001 1.00003 0.99999
0.99999 0.99999 0.99999 0.99999 1.00000
0.99999 1.00002 1.00000 0.99998 1.00001
0.99998
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> 240110225702578652.eigenfacs
Openam> file on opening on unit 10:
240110225702578652.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110225702578652.atom
Openam> file on opening on unit 11:
240110225702578652.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 = 347
First residue number = 1
Last residue number = 173
Number of atoms found = 2903
Mean number per residue = 8.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9896E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9919E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9920E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 27.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 28.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 30.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 30.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 31.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 32.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 33.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 34.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 34.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 35.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 41.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 42.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 43.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 45.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 47.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 47.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 47.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 48.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 48.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 49.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 54.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 55.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 56.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 57.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 57.96
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: 58.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 59.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 59.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 60.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 60.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 61.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 61.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 62.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 62.87
Bfactors> 106 vectors, 8709 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 : 1.058000
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= 0.410 for 347 C-alpha atoms.
Bfactors> = 0.030 +/- 0.03
Bfactors> = 50.564 +/- 15.45
Bfactors> Shiftng-fct= 50.534
Bfactors> Scaling-fct= 464.015
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110225702578652 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=0
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=100
240110225702578652.eigenfacs
240110225702578652.atom
making animated gifs
11 models are in 240110225702578652.7.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 240110225702578652.7.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 240110225702578652.7.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 240110225702578652 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=0
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=100
240110225702578652.eigenfacs
240110225702578652.atom
making animated gifs
11 models are in 240110225702578652.8.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 240110225702578652.8.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 240110225702578652.8.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 240110225702578652 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=0
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=100
240110225702578652.eigenfacs
240110225702578652.atom
making animated gifs
11 models are in 240110225702578652.9.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 240110225702578652.9.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 240110225702578652.9.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 240110225702578652 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=0
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=100
240110225702578652.eigenfacs
240110225702578652.atom
making animated gifs
11 models are in 240110225702578652.10.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 240110225702578652.10.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 240110225702578652.10.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 240110225702578652 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=-20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=0
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=20
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=40
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=60
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=80
240110225702578652.eigenfacs
240110225702578652.atom
calculating perturbed structure for DQ=100
240110225702578652.eigenfacs
240110225702578652.atom
making animated gifs
11 models are in 240110225702578652.11.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 240110225702578652.11.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 240110225702578652.11.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
240110225702578652.10.pdb
240110225702578652.11.pdb
240110225702578652.7.pdb
240110225702578652.8.pdb
240110225702578652.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.488s
user 0m18.420s
sys 0m0.068s
../../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: 240110225702578652.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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