*** ***
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 = 2401041413403846677.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 2401041413403846677.atom to be opened.
Openam> File opened: 2401041413403846677.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5960
Mean number per residue = 14.4
Pdbmat> Coordinate statistics:
= 105.839265 +/- 36.832174 From: 32.220000 To: 163.341000
= 105.830274 +/- 21.450524 From: 68.930000 To: 174.699000
= 105.854640 +/- 22.849578 From: 46.946000 To: 143.873000
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 2.1426 % Filled.
Pdbmat> 3425122 non-zero elements.
Pdbmat> 376663 atom-atom interactions.
Pdbmat> Number per atom= 126.40 +/- 51.85
Maximum number = 292
Minimum number = 19
Pdbmat> Matrix trace = 7.533260E+06
Pdbmat> Larger element = 1038.32
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
413 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401041413403846677.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401041413403846677.atom to be opened.
Openam> file on opening on unit 11:
2401041413403846677.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5960 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 413 residues.
Blocpdb> 51 atoms in block 1
Block first atom: 1
Blocpdb> 40 atoms in block 2
Block first atom: 52
Blocpdb> 37 atoms in block 3
Block first atom: 92
Blocpdb> 32 atoms in block 4
Block first atom: 129
Blocpdb> 48 atoms in block 5
Block first atom: 161
Blocpdb> 51 atoms in block 6
Block first atom: 209
Blocpdb> 42 atoms in block 7
Block first atom: 260
Blocpdb> 45 atoms in block 8
Block first atom: 302
Blocpdb> 36 atoms in block 9
Block first atom: 347
Blocpdb> 40 atoms in block 10
Block first atom: 383
Blocpdb> 43 atoms in block 11
Block first atom: 423
Blocpdb> 45 atoms in block 12
Block first atom: 466
Blocpdb> 36 atoms in block 13
Block first atom: 511
Blocpdb> 38 atoms in block 14
Block first atom: 547
Blocpdb> 30 atoms in block 15
Block first atom: 585
Blocpdb> 36 atoms in block 16
Block first atom: 615
Blocpdb> 35 atoms in block 17
Block first atom: 651
Blocpdb> 38 atoms in block 18
Block first atom: 686
Blocpdb> 30 atoms in block 19
Block first atom: 724
Blocpdb> 39 atoms in block 20
Block first atom: 754
Blocpdb> 52 atoms in block 21
Block first atom: 793
Blocpdb> 46 atoms in block 22
Block first atom: 845
Blocpdb> 46 atoms in block 23
Block first atom: 891
Blocpdb> 52 atoms in block 24
Block first atom: 937
Blocpdb> 50 atoms in block 25
Block first atom: 989
Blocpdb> 54 atoms in block 26
Block first atom: 1039
Blocpdb> 52 atoms in block 27
Block first atom: 1093
Blocpdb> 42 atoms in block 28
Block first atom: 1145
Blocpdb> 41 atoms in block 29
Block first atom: 1187
Blocpdb> 28 atoms in block 30
Block first atom: 1228
Blocpdb> 46 atoms in block 31
Block first atom: 1256
Blocpdb> 41 atoms in block 32
Block first atom: 1302
Blocpdb> 38 atoms in block 33
Block first atom: 1343
Blocpdb> 43 atoms in block 34
Block first atom: 1381
Blocpdb> 54 atoms in block 35
Block first atom: 1424
Blocpdb> 35 atoms in block 36
Block first atom: 1478
Blocpdb> 41 atoms in block 37
Block first atom: 1513
Blocpdb> 53 atoms in block 38
Block first atom: 1554
Blocpdb> 37 atoms in block 39
Block first atom: 1607
Blocpdb> 41 atoms in block 40
Block first atom: 1644
Blocpdb> 43 atoms in block 41
Block first atom: 1685
Blocpdb> 38 atoms in block 42
Block first atom: 1728
Blocpdb> 40 atoms in block 43
Block first atom: 1766
Blocpdb> 45 atoms in block 44
Block first atom: 1806
Blocpdb> 48 atoms in block 45
Block first atom: 1851
Blocpdb> 55 atoms in block 46
Block first atom: 1899
Blocpdb> 58 atoms in block 47
Block first atom: 1954
Blocpdb> 37 atoms in block 48
Block first atom: 2012
Blocpdb> 52 atoms in block 49
Block first atom: 2049
Blocpdb> 40 atoms in block 50
Block first atom: 2101
Blocpdb> 43 atoms in block 51
Block first atom: 2141
Blocpdb> 41 atoms in block 52
Block first atom: 2184
Blocpdb> 44 atoms in block 53
Block first atom: 2225
Blocpdb> 35 atoms in block 54
Block first atom: 2269
Blocpdb> 35 atoms in block 55
Block first atom: 2304
Blocpdb> 46 atoms in block 56
Block first atom: 2339
Blocpdb> 36 atoms in block 57
Block first atom: 2385
Blocpdb> 51 atoms in block 58
Block first atom: 2421
Blocpdb> 35 atoms in block 59
Block first atom: 2472
Blocpdb> 44 atoms in block 60
Block first atom: 2507
Blocpdb> 35 atoms in block 61
Block first atom: 2551
Blocpdb> 42 atoms in block 62
Block first atom: 2586
Blocpdb> 47 atoms in block 63
Block first atom: 2628
Blocpdb> 50 atoms in block 64
Block first atom: 2675
Blocpdb> 47 atoms in block 65
Block first atom: 2725
Blocpdb> 47 atoms in block 66
Block first atom: 2772
Blocpdb> 36 atoms in block 67
Block first atom: 2819
Blocpdb> 50 atoms in block 68
Block first atom: 2855
Blocpdb> 41 atoms in block 69
Block first atom: 2905
Blocpdb> 31 atoms in block 70
Block first atom: 2946
Blocpdb> 38 atoms in block 71
Block first atom: 2977
Blocpdb> 67 atoms in block 72
Block first atom: 3015
Blocpdb> 60 atoms in block 73
Block first atom: 3082
Blocpdb> 38 atoms in block 74
Block first atom: 3142
Blocpdb> 51 atoms in block 75
Block first atom: 3180
Blocpdb> 35 atoms in block 76
Block first atom: 3231
Blocpdb> 47 atoms in block 77
Block first atom: 3266
Blocpdb> 56 atoms in block 78
Block first atom: 3313
Blocpdb> 38 atoms in block 79
Block first atom: 3369
Blocpdb> 52 atoms in block 80
Block first atom: 3407
Blocpdb> 62 atoms in block 81
Block first atom: 3459
Blocpdb> 58 atoms in block 82
Block first atom: 3521
Blocpdb> 62 atoms in block 83
Block first atom: 3579
Blocpdb> 49 atoms in block 84
Block first atom: 3641
Blocpdb> 41 atoms in block 85
Block first atom: 3690
Blocpdb> 42 atoms in block 86
Block first atom: 3731
Blocpdb> 39 atoms in block 87
Block first atom: 3773
Blocpdb> 45 atoms in block 88
Block first atom: 3812
Blocpdb> 42 atoms in block 89
Block first atom: 3857
Blocpdb> 67 atoms in block 90
Block first atom: 3899
Blocpdb> 48 atoms in block 91
Block first atom: 3966
Blocpdb> 30 atoms in block 92
Block first atom: 4014
Blocpdb> 41 atoms in block 93
Block first atom: 4044
Blocpdb> 35 atoms in block 94
Block first atom: 4085
Blocpdb> 47 atoms in block 95
Block first atom: 4120
Blocpdb> 62 atoms in block 96
Block first atom: 4167
Blocpdb> 50 atoms in block 97
Block first atom: 4229
Blocpdb> 52 atoms in block 98
Block first atom: 4279
Blocpdb> 50 atoms in block 99
Block first atom: 4331
Blocpdb> 58 atoms in block 100
Block first atom: 4381
Blocpdb> 43 atoms in block 101
Block first atom: 4439
Blocpdb> 52 atoms in block 102
Block first atom: 4482
Blocpdb> 56 atoms in block 103
Block first atom: 4534
Blocpdb> 40 atoms in block 104
Block first atom: 4590
Blocpdb> 51 atoms in block 105
Block first atom: 4630
Blocpdb> 53 atoms in block 106
Block first atom: 4681
Blocpdb> 41 atoms in block 107
Block first atom: 4734
Blocpdb> 28 atoms in block 108
Block first atom: 4775
Blocpdb> 27 atoms in block 109
Block first atom: 4803
Blocpdb> 36 atoms in block 110
Block first atom: 4830
Blocpdb> 24 atoms in block 111
Block first atom: 4866
Blocpdb> 53 atoms in block 112
Block first atom: 4890
Blocpdb> 33 atoms in block 113
Block first atom: 4943
Blocpdb> 25 atoms in block 114
Block first atom: 4976
Blocpdb> 32 atoms in block 115
Block first atom: 5001
Blocpdb> 33 atoms in block 116
Block first atom: 5033
Blocpdb> 37 atoms in block 117
Block first atom: 5066
Blocpdb> 40 atoms in block 118
Block first atom: 5103
Blocpdb> 40 atoms in block 119
Block first atom: 5143
Blocpdb> 35 atoms in block 120
Block first atom: 5183
Blocpdb> 46 atoms in block 121
Block first atom: 5218
Blocpdb> 45 atoms in block 122
Block first atom: 5264
Blocpdb> 40 atoms in block 123
Block first atom: 5309
Blocpdb> 51 atoms in block 124
Block first atom: 5349
Blocpdb> 32 atoms in block 125
Block first atom: 5400
Blocpdb> 44 atoms in block 126
Block first atom: 5432
Blocpdb> 50 atoms in block 127
Block first atom: 5476
Blocpdb> 41 atoms in block 128
Block first atom: 5526
Blocpdb> 52 atoms in block 129
Block first atom: 5567
Blocpdb> 32 atoms in block 130
Block first atom: 5619
Blocpdb> 32 atoms in block 131
Block first atom: 5651
Blocpdb> 48 atoms in block 132
Block first atom: 5683
Blocpdb> 38 atoms in block 133
Block first atom: 5731
Blocpdb> 42 atoms in block 134
Block first atom: 5769
Blocpdb> 39 atoms in block 135
Block first atom: 5811
Blocpdb> 46 atoms in block 136
Block first atom: 5850
Blocpdb> 43 atoms in block 137
Block first atom: 5896
Blocpdb> 22 atoms in block 138
Block first atom: 5938
Blocpdb> 138 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 22 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> 3425260 matrix lines read.
Prepmat> Matrix order = 17880
Prepmat> Matrix trace = 7533260.0000
Prepmat> Last element read: 17880 17880 171.1854
Prepmat> 9592 lines saved.
Prepmat> 8570 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: 5960
RTB> Total mass = 5960.0000
RTB> Number of atoms found in matrix: 5960
RTB> Number of blocks = 138
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 253902.3555
RTB> 34686 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 = 828
Diagstd> Nb of non-zero elements: 34686
Diagstd> Projected matrix trace = 253902.3555
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 828 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 253902.3555
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0017687 0.0023284 0.0052144 0.0097871
0.0119021 0.0310669 0.0638250 0.0747816 0.1189233
0.1321814 0.2124339 0.2731018 0.3095057 0.3659175
0.4209044 0.8048610 1.0085144 1.1047044 1.3376284
1.7964609 1.9237894 2.9817850 4.1460726 4.4450264
4.6289283 4.8544992 5.0947941 5.2607846 6.2671406
6.7074857 7.5200844 8.1089964 8.4599704 9.4386838
10.0694130 10.5636077 11.1252161 12.0950328 12.5729845
13.3230655 13.9506973 14.3517051 15.2012294 15.8867412
16.2813152 16.9825240 17.7656248 18.6678533 19.0757833
20.9280888 21.0391280 21.7878653 22.2685970 22.9944976
23.8552125 25.1028896 25.2603817 25.8955764 26.8594629
27.9718577 28.4598098 28.8794901 29.0393569 30.0488381
31.0234332 31.7092461 32.1806528 32.8046087 32.9447655
33.7687455 34.1659479 35.7085962 35.8680143 37.6303397
37.7668702 38.5478477 38.6900877 39.4539689 41.3507647
41.7346613 42.3892098 44.3710883 44.6758501 46.2455597
47.0975479 48.3893052 48.5859552 50.0301374 50.2091249
51.0736253 52.7112584 53.7688676 54.7072800 55.1705806
55.6108443 56.6145086 57.6188948 57.9583713 58.5516163
58.6548961
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034322 0.0034324 0.0034325 0.0034325
0.0034331 4.5669519 5.2398605 7.8414599 10.7429243
11.8469705 19.1400925 27.4341081 29.6956460 37.4480135
39.4803043 50.0503631 56.7489186 60.4128874 65.6881231
70.4509766 97.4217027 109.0526781 114.1348623 125.5923022
145.5473047 150.6170179 187.5138883 221.1127220 228.9456808
233.6337101 239.2585671 245.1086270 249.0694942 271.8504135
281.2387491 297.7876186 309.2280166 315.8491418 333.6191718
344.5857851 352.9404312 362.2008858 377.6581009 385.0476442
396.3668829 405.5956030 411.3836544 423.3841908 432.8253512
438.1673589 447.5034616 457.7048591 469.1832180 474.2818116
496.7753811 498.0915208 506.8770423 512.4384488 520.7235786
530.3797388 544.0729553 545.7770062 552.5964257 562.7868516
574.3226380 579.3103360 583.5660805 585.1790610 595.2633198
604.8395880 611.4884222 616.0170107 621.9603674 623.2876057
631.0339772 634.7343730 648.9058197 650.3526999 666.1382165
667.3455642 674.2102453 675.4530038 682.0883456 698.2919777
701.5259283 707.0057414 723.3447285 725.8246153 738.4656524
745.2370339 755.3878120 756.9211715 768.0882621 769.4609890
776.0570047 788.4006478 796.2706816 803.1891655 806.5829874
809.7948765 817.0697863 824.2856555 826.7103345 830.9305456
831.6630666
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5960
Rtb_to_modes> Number of blocs = 138
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: 9.9859E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9896E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9911E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9915E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9917E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9951E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.7687E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.3284E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.2144E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.7871E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.1902E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.1067E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.3825E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.4782E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1189
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1322
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2124
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.2731
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.3095
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.3659
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.4209
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.8049
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.009
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.105
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.338
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.796
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.924
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.982
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.146
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.445
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.629
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.854
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.095
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.261
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 6.267
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.707
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 7.520
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.109
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.460
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.439
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.56
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 12.10
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 13.32
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.95
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 14.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 15.20
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 15.89
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.98
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 17.77
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 18.67
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.08
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 20.93
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 21.04
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 21.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 22.27
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 23.86
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 25.10
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 25.26
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 25.90
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 26.86
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 27.97
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 28.88
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 29.04
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.05
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 31.71
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 32.18
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 32.80
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 32.94
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.77
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 34.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 35.71
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 35.87
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 37.63
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 37.77
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 38.55
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 38.69
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.35
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.73
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.39
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 44.37
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 44.68
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 46.25
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 47.10
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 48.39
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 48.59
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 50.03
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 50.21
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 51.07
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 52.71
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 53.77
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 54.71
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 55.17
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 55.61
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 56.61
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 57.62
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 57.96
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 58.55
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 58.65
Rtb_to_modes> 106 vectors, with 828 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00004 1.00000 1.00001 1.00000
0.99999 0.99999 0.99996 1.00000 1.00001
1.00000 0.99998 1.00002 0.99995 1.00001
1.00001 0.99999 1.00001 1.00003 0.99999
0.99999 1.00000 0.99998 0.99997 0.99998
0.99998 0.99998 0.99998 0.99999 1.00002
1.00002 1.00005 1.00000 0.99997 0.99997
1.00002 1.00000 0.99997 0.99999 0.99998
1.00003 0.99997 1.00000 1.00000 1.00000
0.99997 0.99996 1.00001 0.99996 0.99998
0.99996 1.00002 1.00002 0.99996 1.00000
1.00000 1.00000 0.99998 1.00001 1.00001
0.99999 1.00001 1.00002 1.00005 1.00003
1.00000 1.00001 0.99999 0.99998 1.00001
1.00003 0.99999 1.00002 1.00002 1.00000
0.99998 0.99998 0.99997 0.99998 0.99998
1.00000 0.99995 1.00001 0.99999 1.00001
0.99998 0.99996 1.00001 1.00002 1.00000
0.99997 1.00002 1.00001 1.00000 0.99998
0.99999 0.99997 1.00003 1.00001 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
0.99996
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 107280 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00004 1.00000 1.00001 1.00000
0.99999 0.99999 0.99996 1.00000 1.00001
1.00000 0.99998 1.00002 0.99995 1.00001
1.00001 0.99999 1.00001 1.00003 0.99999
0.99999 1.00000 0.99998 0.99997 0.99998
0.99998 0.99998 0.99998 0.99999 1.00002
1.00002 1.00005 1.00000 0.99997 0.99997
1.00002 1.00000 0.99997 0.99999 0.99998
1.00003 0.99997 1.00000 1.00000 1.00000
0.99997 0.99996 1.00001 0.99996 0.99998
0.99996 1.00002 1.00002 0.99996 1.00000
1.00000 1.00000 0.99998 1.00001 1.00001
0.99999 1.00001 1.00002 1.00005 1.00003
1.00000 1.00001 0.99999 0.99998 1.00001
1.00003 0.99999 1.00002 1.00002 1.00000
0.99998 0.99998 0.99997 0.99998 0.99998
1.00000 0.99995 1.00001 0.99999 1.00001
0.99998 0.99996 1.00001 1.00002 1.00000
0.99997 1.00002 1.00001 1.00000 0.99998
0.99999 0.99997 1.00003 1.00001 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
0.99996
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> 2401041413403846677.eigenfacs
Openam> file on opening on unit 10:
2401041413403846677.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401041413403846677.atom
Openam> file on opening on unit 11:
2401041413403846677.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5960
Mean number per residue = 14.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9859E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9896E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9917E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7687E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3284E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.2144E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7871E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1902E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1067E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3825E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.4782E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 12.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 15.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 15.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 17.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 18.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 21.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 21.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 22.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 23.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 25.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 25.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 25.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 26.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 27.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 28.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 29.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 31.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 32.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 32.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 32.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 34.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 35.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 35.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 37.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 37.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 38.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 38.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 44.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 44.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 46.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 47.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 48.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 48.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 50.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 50.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 51.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 52.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 53.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 54.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 55.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 55.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 56.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 57.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 57.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 58.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 58.65
Bfactors> 106 vectors, 17880 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.001769
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 3.834 +/- 5.06
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -3.834
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401041413403846677 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=0
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=100
2401041413403846677.eigenfacs
2401041413403846677.atom
making animated gifs
11 models are in 2401041413403846677.7.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 2401041413403846677.7.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 2401041413403846677.7.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 2401041413403846677 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=0
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=100
2401041413403846677.eigenfacs
2401041413403846677.atom
making animated gifs
11 models are in 2401041413403846677.8.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 2401041413403846677.8.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 2401041413403846677.8.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 2401041413403846677 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=0
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=100
2401041413403846677.eigenfacs
2401041413403846677.atom
making animated gifs
11 models are in 2401041413403846677.9.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 2401041413403846677.9.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 2401041413403846677.9.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 2401041413403846677 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=0
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=100
2401041413403846677.eigenfacs
2401041413403846677.atom
making animated gifs
11 models are in 2401041413403846677.10.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 2401041413403846677.10.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 2401041413403846677.10.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 2401041413403846677 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=-20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=0
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=20
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=40
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=60
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=80
2401041413403846677.eigenfacs
2401041413403846677.atom
calculating perturbed structure for DQ=100
2401041413403846677.eigenfacs
2401041413403846677.atom
making animated gifs
11 models are in 2401041413403846677.11.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 2401041413403846677.11.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 2401041413403846677.11.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
2401041413403846677.10.pdb
2401041413403846677.11.pdb
2401041413403846677.7.pdb
2401041413403846677.8.pdb
2401041413403846677.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.573s
user 0m20.377s
sys 0m0.128s
../../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: 2401041413403846677.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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