*** ***
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 = 240417221508931691.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 240417221508931691.atom to be opened.
Openam> File opened: 240417221508931691.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 = 411
First residue number = 94
Last residue number = 230
Number of atoms found = 3447
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= 180.484394 +/- 21.103483 From: 133.428000 To: 223.131000
= 199.568806 +/- 27.339568 From: 151.646000 To: 264.410000
= 206.229526 +/- 5.488578 From: 193.158000 To: 220.402000
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 2.3788 % Filled.
Pdbmat> 1272033 non-zero elements.
Pdbmat> 139074 atom-atom interactions.
Pdbmat> Number per atom= 80.69 +/- 21.73
Maximum number = 159
Minimum number = 16
Pdbmat> Matrix trace = 2.781480E+06
Pdbmat> Larger element = 624.065
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
411 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 = 240417221508931691.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 240417221508931691.atom to be opened.
Openam> file on opening on unit 11:
240417221508931691.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3447 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> 411 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 26
Blocpdb> 22 atoms in block 3
Block first atom: 57
Blocpdb> 25 atoms in block 4
Block first atom: 79
Blocpdb> 23 atoms in block 5
Block first atom: 104
Blocpdb> 26 atoms in block 6
Block first atom: 127
Blocpdb> 14 atoms in block 7
Block first atom: 153
Blocpdb> 15 atoms in block 8
Block first atom: 167
Blocpdb> 16 atoms in block 9
Block first atom: 182
Blocpdb> 15 atoms in block 10
Block first atom: 198
Blocpdb> 16 atoms in block 11
Block first atom: 213
Blocpdb> 28 atoms in block 12
Block first atom: 229
Blocpdb> 15 atoms in block 13
Block first atom: 257
Blocpdb> 25 atoms in block 14
Block first atom: 272
Blocpdb> 23 atoms in block 15
Block first atom: 297
Blocpdb> 25 atoms in block 16
Block first atom: 320
Blocpdb> 30 atoms in block 17
Block first atom: 345
Blocpdb> 28 atoms in block 18
Block first atom: 375
Blocpdb> 35 atoms in block 19
Block first atom: 403
Blocpdb> 25 atoms in block 20
Block first atom: 438
Blocpdb> 35 atoms in block 21
Block first atom: 463
Blocpdb> 24 atoms in block 22
Block first atom: 498
Blocpdb> 31 atoms in block 23
Block first atom: 522
Blocpdb> 25 atoms in block 24
Block first atom: 553
Blocpdb> 29 atoms in block 25
Block first atom: 578
Blocpdb> 23 atoms in block 26
Block first atom: 607
Blocpdb> 27 atoms in block 27
Block first atom: 630
Blocpdb> 25 atoms in block 28
Block first atom: 657
Blocpdb> 21 atoms in block 29
Block first atom: 682
Blocpdb> 23 atoms in block 30
Block first atom: 703
Blocpdb> 28 atoms in block 31
Block first atom: 726
Blocpdb> 21 atoms in block 32
Block first atom: 754
Blocpdb> 21 atoms in block 33
Block first atom: 775
Blocpdb> 22 atoms in block 34
Block first atom: 796
Blocpdb> 26 atoms in block 35
Block first atom: 818
Blocpdb> 24 atoms in block 36
Block first atom: 844
Blocpdb> 24 atoms in block 37
Block first atom: 868
Blocpdb> 28 atoms in block 38
Block first atom: 892
Blocpdb> 23 atoms in block 39
Block first atom: 920
Blocpdb> 23 atoms in block 40
Block first atom: 943
Blocpdb> 23 atoms in block 41
Block first atom: 966
Blocpdb> 30 atoms in block 42
Block first atom: 989
Blocpdb> 24 atoms in block 43
Block first atom: 1019
Blocpdb> 29 atoms in block 44
Block first atom: 1043
Blocpdb> 43 atoms in block 45
Block first atom: 1072
Blocpdb> 35 atoms in block 46
Block first atom: 1115
Blocpdb> 25 atoms in block 47
Block first atom: 1150
Blocpdb> 31 atoms in block 48
Block first atom: 1175
Blocpdb> 22 atoms in block 49
Block first atom: 1206
Blocpdb> 25 atoms in block 50
Block first atom: 1228
Blocpdb> 23 atoms in block 51
Block first atom: 1253
Blocpdb> 26 atoms in block 52
Block first atom: 1276
Blocpdb> 14 atoms in block 53
Block first atom: 1302
Blocpdb> 15 atoms in block 54
Block first atom: 1316
Blocpdb> 16 atoms in block 55
Block first atom: 1331
Blocpdb> 15 atoms in block 56
Block first atom: 1347
Blocpdb> 16 atoms in block 57
Block first atom: 1362
Blocpdb> 28 atoms in block 58
Block first atom: 1378
Blocpdb> 15 atoms in block 59
Block first atom: 1406
Blocpdb> 25 atoms in block 60
Block first atom: 1421
Blocpdb> 23 atoms in block 61
Block first atom: 1446
Blocpdb> 25 atoms in block 62
Block first atom: 1469
Blocpdb> 30 atoms in block 63
Block first atom: 1494
Blocpdb> 28 atoms in block 64
Block first atom: 1524
Blocpdb> 35 atoms in block 65
Block first atom: 1552
Blocpdb> 25 atoms in block 66
Block first atom: 1587
Blocpdb> 35 atoms in block 67
Block first atom: 1612
Blocpdb> 24 atoms in block 68
Block first atom: 1647
Blocpdb> 31 atoms in block 69
Block first atom: 1671
Blocpdb> 25 atoms in block 70
Block first atom: 1702
Blocpdb> 29 atoms in block 71
Block first atom: 1727
Blocpdb> 23 atoms in block 72
Block first atom: 1756
Blocpdb> 27 atoms in block 73
Block first atom: 1779
Blocpdb> 25 atoms in block 74
Block first atom: 1806
Blocpdb> 21 atoms in block 75
Block first atom: 1831
Blocpdb> 23 atoms in block 76
Block first atom: 1852
Blocpdb> 28 atoms in block 77
Block first atom: 1875
Blocpdb> 21 atoms in block 78
Block first atom: 1903
Blocpdb> 21 atoms in block 79
Block first atom: 1924
Blocpdb> 22 atoms in block 80
Block first atom: 1945
Blocpdb> 26 atoms in block 81
Block first atom: 1967
Blocpdb> 24 atoms in block 82
Block first atom: 1993
Blocpdb> 24 atoms in block 83
Block first atom: 2017
Blocpdb> 28 atoms in block 84
Block first atom: 2041
Blocpdb> 23 atoms in block 85
Block first atom: 2069
Blocpdb> 23 atoms in block 86
Block first atom: 2092
Blocpdb> 23 atoms in block 87
Block first atom: 2115
Blocpdb> 30 atoms in block 88
Block first atom: 2138
Blocpdb> 24 atoms in block 89
Block first atom: 2168
Blocpdb> 29 atoms in block 90
Block first atom: 2192
Blocpdb> 43 atoms in block 91
Block first atom: 2221
Blocpdb> 35 atoms in block 92
Block first atom: 2264
Blocpdb> 25 atoms in block 93
Block first atom: 2299
Blocpdb> 31 atoms in block 94
Block first atom: 2324
Blocpdb> 22 atoms in block 95
Block first atom: 2355
Blocpdb> 25 atoms in block 96
Block first atom: 2377
Blocpdb> 23 atoms in block 97
Block first atom: 2402
Blocpdb> 26 atoms in block 98
Block first atom: 2425
Blocpdb> 14 atoms in block 99
Block first atom: 2451
Blocpdb> 15 atoms in block 100
Block first atom: 2465
Blocpdb> 16 atoms in block 101
Block first atom: 2480
Blocpdb> 15 atoms in block 102
Block first atom: 2496
Blocpdb> 16 atoms in block 103
Block first atom: 2511
Blocpdb> 28 atoms in block 104
Block first atom: 2527
Blocpdb> 15 atoms in block 105
Block first atom: 2555
Blocpdb> 25 atoms in block 106
Block first atom: 2570
Blocpdb> 23 atoms in block 107
Block first atom: 2595
Blocpdb> 25 atoms in block 108
Block first atom: 2618
Blocpdb> 30 atoms in block 109
Block first atom: 2643
Blocpdb> 28 atoms in block 110
Block first atom: 2673
Blocpdb> 35 atoms in block 111
Block first atom: 2701
Blocpdb> 25 atoms in block 112
Block first atom: 2736
Blocpdb> 35 atoms in block 113
Block first atom: 2761
Blocpdb> 24 atoms in block 114
Block first atom: 2796
Blocpdb> 31 atoms in block 115
Block first atom: 2820
Blocpdb> 25 atoms in block 116
Block first atom: 2851
Blocpdb> 29 atoms in block 117
Block first atom: 2876
Blocpdb> 23 atoms in block 118
Block first atom: 2905
Blocpdb> 27 atoms in block 119
Block first atom: 2928
Blocpdb> 25 atoms in block 120
Block first atom: 2955
Blocpdb> 21 atoms in block 121
Block first atom: 2980
Blocpdb> 23 atoms in block 122
Block first atom: 3001
Blocpdb> 28 atoms in block 123
Block first atom: 3024
Blocpdb> 21 atoms in block 124
Block first atom: 3052
Blocpdb> 21 atoms in block 125
Block first atom: 3073
Blocpdb> 22 atoms in block 126
Block first atom: 3094
Blocpdb> 26 atoms in block 127
Block first atom: 3116
Blocpdb> 24 atoms in block 128
Block first atom: 3142
Blocpdb> 24 atoms in block 129
Block first atom: 3166
Blocpdb> 28 atoms in block 130
Block first atom: 3190
Blocpdb> 23 atoms in block 131
Block first atom: 3218
Blocpdb> 23 atoms in block 132
Block first atom: 3241
Blocpdb> 23 atoms in block 133
Block first atom: 3264
Blocpdb> 30 atoms in block 134
Block first atom: 3287
Blocpdb> 24 atoms in block 135
Block first atom: 3317
Blocpdb> 29 atoms in block 136
Block first atom: 3341
Blocpdb> 43 atoms in block 137
Block first atom: 3370
Blocpdb> 35 atoms in block 138
Block first atom: 3412
Blocpdb> 138 blocks.
Blocpdb> At most, 43 atoms in each of them.
Blocpdb> At least, 14 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1272171 matrix lines read.
Prepmat> Matrix order = 10341
Prepmat> Matrix trace = 2781480.0000
Prepmat> Last element read: 10341 10341 224.5516
Prepmat> 9592 lines saved.
Prepmat> 8362 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: 3447
RTB> Total mass = 3447.0000
RTB> Number of atoms found in matrix: 3447
RTB> Number of blocks = 138
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 170724.3836
RTB> 42174 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: 42174
Diagstd> Projected matrix trace = 170724.3836
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 = 170724.3836
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 0.1523837 0.1690356 0.3372863 0.4473983
0.8482725 0.9918002 1.9400562 2.1266898 2.6800077
3.1352424 3.3044764 4.0816502 4.4566341 5.4101010
6.1160455 6.9635824 7.5093579 7.9679173 8.8894736
10.4090929 11.1024306 11.7969985 12.6998544 14.7621457
15.1060387 15.6815699 15.8250565 17.3260546 18.5295696
19.0341267 20.3358117 20.6044056 21.2851993 21.9762027
23.8045746 24.2771032 25.3282493 26.3921396 26.7760848
28.2048003 29.6863587 30.2002816 30.8801100 32.0566334
32.9414451 34.2379331 35.5887456 35.9583792 36.6082666
36.9144659 38.2372829 38.7414965 39.3731629 40.8796210
41.0877053 42.1544784 43.8245222 44.3035116 46.2520953
46.9522573 48.0098781 48.4226115 48.8392836 49.5555738
50.6479133 51.1555655 51.5553231 51.7629545 53.0314545
54.3480001 54.6948784 55.8216863 55.8767749 56.1964779
56.9181241 57.8554440 58.4855186 58.9301220 59.7246360
59.9336872 60.5041673 61.7540290 62.6269952 63.7737771
65.1098283 65.1504977 65.7137735 66.5606390 67.5206251
67.8045194 68.4914793 69.0177683 69.3981871 70.4111043
71.5873888 72.0077003 72.6982278 73.2171099 73.7197822
74.5086492
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034329 0.0034333 0.0034338 0.0034340
0.0034346 42.3901087 44.6461926 63.0659012 72.6344125
100.0145030 108.1452298 151.2524576 158.3606775 177.7719755
192.2785519 197.3997530 219.3881537 229.2444174 252.5794236
268.5533874 286.5574070 297.5751635 306.5262629 323.7675372
350.3496787 361.8297843 372.9761335 386.9854633 417.2247121
422.0564838 430.0213814 431.9842525 452.0069577 467.4422312
473.7636747 489.6954127 492.9187356 500.9958639 509.0630871
529.8165165 535.0491920 546.5096893 557.8694511 561.9126606
576.7090871 591.6620931 596.7614716 603.4408400 614.8288471
623.2561950 635.4026909 647.8159262 651.1714252 657.0294901
659.7715352 671.4888292 675.9016032 681.3894924 694.3024707
696.0672869 705.0454924 718.8758190 722.7936950 738.5178320
744.0866599 752.4204347 755.6477337 758.8919094 764.4367102
772.8159180 776.6792903 779.7080836 781.2765851 790.7916036
800.5474235 803.0981226 811.3285456 811.7287834 814.0476534
819.2577707 825.9759379 830.4614035 833.6119862 839.2126777
840.6801221 844.6716623 853.3514463 859.3618457 867.1941713
876.2308819 876.5044981 880.2853685 885.9394107 892.3053716
894.1792785 898.6975413 902.1437328 904.6265773 911.2045044
918.7842485 921.4775327 925.8853073 929.1836757 932.3678763
937.3431832
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3447
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: 9.9875E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1524
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1690
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3373
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4474
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.8483
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.9918
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.940
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.127
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.680
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.135
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.304
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.082
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.457
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.410
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.116
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.964
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.509
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.968
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.889
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.41
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.10
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.76
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.68
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.83
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 17.33
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 18.53
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.03
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 20.34
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 20.60
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 21.29
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.98
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 23.80
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.28
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.33
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.39
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.78
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.20
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 29.69
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.20
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 30.88
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 32.06
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 32.94
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.59
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 35.96
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.61
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.74
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 39.37
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 40.88
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 41.09
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 42.15
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.82
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 44.30
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 46.25
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 46.95
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 48.01
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 48.42
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 48.84
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 49.56
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 50.65
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 51.16
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 51.56
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 51.76
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 53.03
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 54.35
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 54.69
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 55.82
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 55.88
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 56.20
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 56.92
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 57.86
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 58.49
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 58.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 59.72
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 59.93
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 60.50
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 61.75
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 62.63
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 63.77
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 65.11
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 65.15
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 65.71
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 66.56
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 67.52
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 67.80
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 68.49
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.02
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.40
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.41
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.59
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 72.01
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 72.70
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 73.22
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 73.72
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 74.51
Rtb_to_modes> 106 vectors, with 828 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 1.00000 0.99998 0.99995
0.99999 1.00003 1.00002 0.99997 1.00000
1.00000 1.00000 0.99996 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99997
0.99995 1.00002 1.00000 1.00004 0.99998
0.99999 0.99997 1.00000 1.00002 1.00001
1.00002 1.00000 1.00000 0.99998 1.00000
1.00000 1.00003 1.00000 1.00001 1.00001
0.99999 1.00000 1.00001 1.00000 1.00000
1.00003 0.99999 0.99998 0.99996 0.99999
0.99999 1.00001 1.00003 1.00003 1.00000
0.99998 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99998 1.00000 0.99999
1.00002 0.99999 1.00002 1.00000 1.00001
0.99999 0.99999 1.00001 1.00002 1.00000
1.00001 1.00000 1.00002 1.00000 0.99999
1.00004 0.99999 0.99999 1.00001 1.00003
0.99998 1.00003 1.00000 1.00000 1.00000
0.99996 1.00001 1.00000 1.00000 0.99999
0.99998 1.00001 1.00000 0.99997 1.00002
0.99999 1.00001 0.99997 1.00001 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 62046 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 1.00000 0.99998 0.99995
0.99999 1.00003 1.00002 0.99997 1.00000
1.00000 1.00000 0.99996 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99997
0.99995 1.00002 1.00000 1.00004 0.99998
0.99999 0.99997 1.00000 1.00002 1.00001
1.00002 1.00000 1.00000 0.99998 1.00000
1.00000 1.00003 1.00000 1.00001 1.00001
0.99999 1.00000 1.00001 1.00000 1.00000
1.00003 0.99999 0.99998 0.99996 0.99999
0.99999 1.00001 1.00003 1.00003 1.00000
0.99998 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99998 1.00000 0.99999
1.00002 0.99999 1.00002 1.00000 1.00001
0.99999 0.99999 1.00001 1.00002 1.00000
1.00001 1.00000 1.00002 1.00000 0.99999
1.00004 0.99999 0.99999 1.00001 1.00003
0.99998 1.00003 1.00000 1.00000 1.00000
0.99996 1.00001 1.00000 1.00000 0.99999
0.99998 1.00001 1.00000 0.99997 1.00002
0.99999 1.00001 0.99997 1.00001 1.00002
1.00001
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> 240417221508931691.eigenfacs
Openam> file on opening on unit 10:
240417221508931691.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240417221508931691.atom
Openam> file on opening on unit 11:
240417221508931691.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 = 411
First residue number = 94
Last residue number = 230
Number of atoms found = 3447
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: 9.9875E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 18.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 20.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 21.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 23.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 29.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 30.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 32.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 32.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 35.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 39.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 40.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 41.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 42.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 44.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 46.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 46.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 48.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 48.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 48.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 49.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 50.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 51.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 51.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 51.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 53.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 54.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 54.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 55.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 55.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 56.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 56.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 57.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 58.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 58.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 59.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 59.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 60.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 61.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 62.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 63.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 65.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 65.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 65.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 66.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 67.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 67.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 68.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 72.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 72.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 73.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 73.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 74.51
Bfactors> 106 vectors, 10341 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 : 0.152400
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= 0.565 for 411 C-alpha atoms.
Bfactors> = 0.107 +/- 0.08
Bfactors> = 38.692 +/- 11.41
Bfactors> Shiftng-fct= 38.585
Bfactors> Scaling-fct= 136.884
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240417221508931691 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=0
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=100
240417221508931691.eigenfacs
240417221508931691.atom
making animated gifs
11 models are in 240417221508931691.7.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 240417221508931691.7.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 240417221508931691.7.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 240417221508931691 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=0
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=100
240417221508931691.eigenfacs
240417221508931691.atom
making animated gifs
11 models are in 240417221508931691.8.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 240417221508931691.8.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 240417221508931691.8.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 240417221508931691 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=0
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=100
240417221508931691.eigenfacs
240417221508931691.atom
making animated gifs
11 models are in 240417221508931691.9.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 240417221508931691.9.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 240417221508931691.9.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 240417221508931691 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=0
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=100
240417221508931691.eigenfacs
240417221508931691.atom
making animated gifs
11 models are in 240417221508931691.10.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 240417221508931691.10.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 240417221508931691.10.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 240417221508931691 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=-20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=0
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=20
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=40
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=60
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=80
240417221508931691.eigenfacs
240417221508931691.atom
calculating perturbed structure for DQ=100
240417221508931691.eigenfacs
240417221508931691.atom
making animated gifs
11 models are in 240417221508931691.11.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 240417221508931691.11.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 240417221508931691.11.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
240417221508931691.10.pdb
240417221508931691.11.pdb
240417221508931691.7.pdb
240417221508931691.8.pdb
240417221508931691.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.669s
user 0m12.621s
sys 0m0.048s
../../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: 240417221508931691.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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