*** galec_nowater_noligand ***
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 = 2404250003232334201.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 2404250003232334201.atom to be opened.
Openam> File opened: 2404250003232334201.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 = 139
First residue number = 112
Last residue number = 250
Number of atoms found = 1150
Mean number per residue = 8.3
Pdbmat> Coordinate statistics:
= 12.744922 +/- 7.760202 From: -8.822000 To: 30.334000
= 0.552106 +/- 9.380457 From: -21.506000 To: 22.880000
= 6.733951 +/- 7.787761 From: -13.393000 To: 24.337000
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 7.0200 % Filled.
Pdbmat> 417901 non-zero elements.
Pdbmat> 45674 atom-atom interactions.
Pdbmat> Number per atom= 79.43 +/- 22.11
Maximum number = 121
Minimum number = 19
Pdbmat> Matrix trace = 913480.
Pdbmat> Larger element = 465.621
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
139 non-zero elements, NRBL set to 1
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 = 2404250003232334201.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2404250003232334201.atom to be opened.
Openam> file on opening on unit 11:
2404250003232334201.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1150 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 139 residues.
Blocpdb> 4 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 5
Blocpdb> 8 atoms in block 3
Block first atom: 12
Blocpdb> 8 atoms in block 4
Block first atom: 20
Blocpdb> 7 atoms in block 5
Block first atom: 28
Blocpdb> 7 atoms in block 6
Block first atom: 35
Blocpdb> 12 atoms in block 7
Block first atom: 42
Blocpdb> 8 atoms in block 8
Block first atom: 54
Blocpdb> 8 atoms in block 9
Block first atom: 62
Blocpdb> 7 atoms in block 10
Block first atom: 70
Blocpdb> 8 atoms in block 11
Block first atom: 77
Blocpdb> 7 atoms in block 12
Block first atom: 85
Blocpdb> 4 atoms in block 13
Block first atom: 92
Blocpdb> 4 atoms in block 14
Block first atom: 96
Blocpdb> 7 atoms in block 15
Block first atom: 100
Blocpdb> 7 atoms in block 16
Block first atom: 107
Blocpdb> 7 atoms in block 17
Block first atom: 114
Blocpdb> 11 atoms in block 18
Block first atom: 121
Blocpdb> 8 atoms in block 19
Block first atom: 132
Blocpdb> 8 atoms in block 20
Block first atom: 140
Blocpdb> 8 atoms in block 21
Block first atom: 148
Blocpdb> 7 atoms in block 22
Block first atom: 156
Blocpdb> 8 atoms in block 23
Block first atom: 163
Blocpdb> 8 atoms in block 24
Block first atom: 171
Blocpdb> 4 atoms in block 25
Block first atom: 179
Blocpdb> 7 atoms in block 26
Block first atom: 183
Blocpdb> 7 atoms in block 27
Block first atom: 190
Blocpdb> 9 atoms in block 28
Block first atom: 197
Blocpdb> 7 atoms in block 29
Block first atom: 206
Blocpdb> 8 atoms in block 30
Block first atom: 213
Blocpdb> 5 atoms in block 31
Block first atom: 221
Blocpdb> 13 atoms in block 32
Block first atom: 226
Blocpdb> 11 atoms in block 33
Block first atom: 239
Blocpdb> 8 atoms in block 34
Block first atom: 250
Blocpdb> 5 atoms in block 35
Block first atom: 258
Blocpdb> 8 atoms in block 36
Block first atom: 263
Blocpdb> 8 atoms in block 37
Block first atom: 271
Blocpdb> 11 atoms in block 38
Block first atom: 279
Blocpdb> 9 atoms in block 39
Block first atom: 290
Blocpdb> 11 atoms in block 40
Block first atom: 299
Blocpdb> 4 atoms in block 41
Block first atom: 310
Blocpdb> 8 atoms in block 42
Block first atom: 314
Blocpdb> 8 atoms in block 43
Block first atom: 322
Blocpdb> 7 atoms in block 44
Block first atom: 330
Blocpdb> 5 atoms in block 45
Block first atom: 337
Blocpdb> 11 atoms in block 46
Block first atom: 342
Blocpdb> 10 atoms in block 47
Block first atom: 353
Blocpdb> 11 atoms in block 48
Block first atom: 363
Blocpdb> 8 atoms in block 49
Block first atom: 374
Blocpdb> 7 atoms in block 50
Block first atom: 382
Blocpdb> 11 atoms in block 51
Block first atom: 389
Blocpdb> 11 atoms in block 52
Block first atom: 400
Blocpdb> 8 atoms in block 53
Block first atom: 411
Blocpdb> 9 atoms in block 54
Block first atom: 419
Blocpdb> 16 atoms in block 55
Block first atom: 428
Blocpdb> 8 atoms in block 56
Block first atom: 444
Blocpdb> 11 atoms in block 57
Block first atom: 452
Blocpdb> 11 atoms in block 58
Block first atom: 463
Blocpdb> 7 atoms in block 59
Block first atom: 474
Blocpdb> 8 atoms in block 60
Block first atom: 481
Blocpdb> 7 atoms in block 61
Block first atom: 489
Blocpdb> 6 atoms in block 62
Block first atom: 496
Blocpdb> 8 atoms in block 63
Block first atom: 502
Blocpdb> 7 atoms in block 64
Block first atom: 510
Blocpdb> 9 atoms in block 65
Block first atom: 517
Blocpdb> 8 atoms in block 66
Block first atom: 526
Blocpdb> 8 atoms in block 67
Block first atom: 534
Blocpdb> 8 atoms in block 68
Block first atom: 542
Blocpdb> 8 atoms in block 69
Block first atom: 550
Blocpdb> 14 atoms in block 70
Block first atom: 558
Blocpdb> 4 atoms in block 71
Block first atom: 572
Blocpdb> 11 atoms in block 72
Block first atom: 576
Blocpdb> 9 atoms in block 73
Block first atom: 587
Blocpdb> 9 atoms in block 74
Block first atom: 596
Blocpdb> 11 atoms in block 75
Block first atom: 605
Blocpdb> 9 atoms in block 76
Block first atom: 616
Blocpdb> 6 atoms in block 77
Block first atom: 625
Blocpdb> 7 atoms in block 78
Block first atom: 631
Blocpdb> 11 atoms in block 79
Block first atom: 638
Blocpdb> 7 atoms in block 80
Block first atom: 649
Blocpdb> 11 atoms in block 81
Block first atom: 656
Blocpdb> 15 atoms in block 82
Block first atom: 667
Blocpdb> 6 atoms in block 83
Block first atom: 682
Blocpdb> 4 atoms in block 84
Block first atom: 688
Blocpdb> 9 atoms in block 85
Block first atom: 692
Blocpdb> 7 atoms in block 86
Block first atom: 701
Blocpdb> 11 atoms in block 87
Block first atom: 708
Blocpdb> 9 atoms in block 88
Block first atom: 719
Blocpdb> 8 atoms in block 89
Block first atom: 728
Blocpdb> 9 atoms in block 90
Block first atom: 736
Blocpdb> 7 atoms in block 91
Block first atom: 745
Blocpdb> 8 atoms in block 92
Block first atom: 752
Blocpdb> 7 atoms in block 93
Block first atom: 760
Blocpdb> 9 atoms in block 94
Block first atom: 767
Blocpdb> 7 atoms in block 95
Block first atom: 776
Blocpdb> 8 atoms in block 96
Block first atom: 783
Blocpdb> 10 atoms in block 97
Block first atom: 791
Blocpdb> 11 atoms in block 98
Block first atom: 801
Blocpdb> 9 atoms in block 99
Block first atom: 812
Blocpdb> 7 atoms in block 100
Block first atom: 821
Blocpdb> 5 atoms in block 101
Block first atom: 828
Blocpdb> 7 atoms in block 102
Block first atom: 833
Blocpdb> 8 atoms in block 103
Block first atom: 840
Blocpdb> 8 atoms in block 104
Block first atom: 848
Blocpdb> 5 atoms in block 105
Block first atom: 856
Blocpdb> 10 atoms in block 106
Block first atom: 861
Blocpdb> 8 atoms in block 107
Block first atom: 871
Blocpdb> 8 atoms in block 108
Block first atom: 879
Blocpdb> 9 atoms in block 109
Block first atom: 887
Blocpdb> 12 atoms in block 110
Block first atom: 896
Blocpdb> 13 atoms in block 111
Block first atom: 908
Blocpdb> 10 atoms in block 112
Block first atom: 921
Blocpdb> 11 atoms in block 113
Block first atom: 931
Blocpdb> 7 atoms in block 114
Block first atom: 942
Blocpdb> 9 atoms in block 115
Block first atom: 949
Blocpdb> 9 atoms in block 116
Block first atom: 958
Blocpdb> 8 atoms in block 117
Block first atom: 967
Blocpdb> 8 atoms in block 118
Block first atom: 975
Blocpdb> 9 atoms in block 119
Block first atom: 983
Blocpdb> 8 atoms in block 120
Block first atom: 992
Blocpdb> 12 atoms in block 121
Block first atom: 1000
Blocpdb> 9 atoms in block 122
Block first atom: 1012
Blocpdb> 8 atoms in block 123
Block first atom: 1021
Blocpdb> 4 atoms in block 124
Block first atom: 1029
Blocpdb> 8 atoms in block 125
Block first atom: 1033
Blocpdb> 6 atoms in block 126
Block first atom: 1041
Blocpdb> 4 atoms in block 127
Block first atom: 1047
Blocpdb> 8 atoms in block 128
Block first atom: 1051
Blocpdb> 8 atoms in block 129
Block first atom: 1059
Blocpdb> 8 atoms in block 130
Block first atom: 1067
Blocpdb> 8 atoms in block 131
Block first atom: 1075
Blocpdb> 7 atoms in block 132
Block first atom: 1083
Blocpdb> 9 atoms in block 133
Block first atom: 1090
Blocpdb> 5 atoms in block 134
Block first atom: 1099
Blocpdb> 6 atoms in block 135
Block first atom: 1104
Blocpdb> 12 atoms in block 136
Block first atom: 1110
Blocpdb> 7 atoms in block 137
Block first atom: 1122
Blocpdb> 13 atoms in block 138
Block first atom: 1129
Blocpdb> 9 atoms in block 139
Block first atom: 1141
Blocpdb> 139 blocks.
Blocpdb> At most, 16 atoms in each of them.
Blocpdb> At least, 4 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> 418040 matrix lines read.
Prepmat> Matrix order = 3450
Prepmat> Matrix trace = 913480.0000
Prepmat> Last element read: 3450 3450 165.2103
Prepmat> 9731 lines saved.
Prepmat> 8041 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: 1150
RTB> Total mass = 1150.0000
RTB> Number of atoms found in matrix: 1150
RTB> Number of blocks = 139
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 203174.1013
RTB> 58719 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 = 834
Diagstd> Nb of non-zero elements: 58719
Diagstd> Projected matrix trace = 203174.1013
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 834 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 203174.1013
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 5.3415577 7.2404323 8.6059466 9.9579133
11.3983197 12.9422736 14.0698952 14.7162392 16.2807036
18.6663281 19.3341206 20.8959535 21.4282730 22.2606883
22.3431291 25.3724165 26.3966071 28.2453146 28.5896982
29.4880726 30.4876237 32.1918492 32.5948609 34.0561319
34.6923894 35.5613637 37.8232819 37.9200117 39.2351636
40.0337224 41.9224319 43.7531608 45.1630273 45.6427687
46.5889820 47.5174561 48.4802346 49.2354477 50.1062513
51.0496791 51.5514364 51.5998280 53.3011953 55.3059814
56.6814074 56.8668399 57.6504222 58.4412671 59.6207539
60.2839976 61.4866033 61.9946751 62.1862135 63.2295783
64.2742187 65.4253990 66.5357309 67.3866855 67.9391996
70.1290851 70.9315710 72.0799858 73.5429364 73.7822311
75.0390406 75.1977937 77.0972418 77.6579832 78.5799350
79.2489019 79.6484052 80.0928580 80.8373204 82.5792247
82.9618063 84.6230075 85.3784942 85.9800341 86.7236960
87.3115115 87.9899157 89.1099188 90.2072373 90.6012877
92.1558464 92.3419665 93.3090205 94.2546618 95.0433083
95.7255705 96.8772398 97.5949138 98.0500244 98.5365943
99.4764965 99.7039393 101.1348980 101.3056543 102.9318168
103.3847639
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034332 0.0034335 0.0034338 0.0034342
0.0034363 250.9742949 292.1981945 318.5624657 342.6726557
366.6196148 390.6614601 407.3246667 416.5754758 438.1591289
469.1640514 477.4825360 496.3938330 502.6768281 512.3474443
513.2952887 546.9859820 557.9166653 577.1231412 580.6307944
589.6828178 599.5937096 616.1241648 619.9688171 633.7134724
639.6057896 647.5666643 667.8437792 668.6972102 680.1943404
687.0815183 703.1022931 718.2902916 729.7713387 733.6370747
741.2025260 748.5518215 756.0972116 761.9636014 768.6723097
775.8750537 779.6786923 780.0445504 792.8002061 807.5721475
817.5523908 818.8886047 824.5111370 830.1471708 838.4825178
843.1334160 851.5017231 855.0125204 856.3323229 863.4862433
870.5900183 878.3517488 885.7736284 891.4199059 895.0668921
909.3778399 914.5660373 921.9399330 931.2488800 932.7627030
940.6735151 941.6680376 953.4868349 956.9479889 962.6116487
966.7004194 969.1339826 971.8341942 976.3403424 986.8034995
989.0867406 998.9402407 1003.3894393 1006.9179590 1011.2631208
1014.6845169 1018.6189024 1025.0812838 1031.3735069 1033.6237160
1042.4535830 1043.5057339 1048.9555750 1054.2575020 1058.6588997
1062.4518621 1068.8239051 1072.7755645 1075.2739719 1077.9386753
1083.0674921 1084.3049466 1092.0582412 1092.9797688 1101.7171235
1104.1384921
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1150
Rtb_to_modes> Number of blocs = 139
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: 9.9899E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9957E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.342
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.240
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.606
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.958
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.40
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.94
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 14.07
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 14.72
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 18.67
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 19.33
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 20.90
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 21.43
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 22.26
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 25.37
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 26.40
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 28.59
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 29.49
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 30.49
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 32.19
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 32.59
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 34.69
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 35.56
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 37.82
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 37.92
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 39.24
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 40.03
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 41.92
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 43.75
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 45.16
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 45.64
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 46.59
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 47.52
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 48.48
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 49.24
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 50.11
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 51.55
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 51.60
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 53.30
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 55.31
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 56.68
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 56.87
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 57.65
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 58.44
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 59.62
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 60.28
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 61.49
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 61.99
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 62.19
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 63.23
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 64.27
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 65.43
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 66.54
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 67.39
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 67.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 70.13
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 70.93
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 72.08
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 73.54
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 73.78
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 75.04
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 75.20
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 77.10
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 77.66
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 78.58
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 79.25
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 79.65
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 80.09
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 80.84
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 82.58
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 82.96
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 84.62
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 85.38
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 85.98
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 86.72
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 87.31
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 87.99
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 89.11
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 90.21
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 90.60
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 92.16
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 92.34
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 93.31
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 94.25
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 95.04
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 95.73
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 96.88
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 97.59
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 98.05
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 98.54
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 99.48
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 99.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 101.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 101.3
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 102.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 103.4
Rtb_to_modes> 106 vectors, with 834 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 0.99996 1.00000 0.99999
1.00000 1.00001 1.00000 1.00002 0.99997
0.99998 1.00002 1.00001 0.99998 1.00001
1.00001 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 1.00003 1.00002 1.00002
1.00001 1.00003 1.00002 1.00001 1.00002
1.00004 1.00003 1.00001 1.00001 1.00005
0.99999 1.00000 0.99998 1.00000 0.99998
1.00004 0.99996 0.99998 1.00000 1.00004
0.99997 0.99999 1.00002 0.99999 1.00002
1.00003 1.00001 0.99999 1.00001 0.99998
1.00000 1.00000 1.00000 0.99999 1.00004
1.00003 1.00000 1.00001 0.99998 0.99999
1.00002 1.00000 1.00001 1.00002 0.99999
1.00000 1.00001 0.99999 0.99998 1.00004
1.00001 0.99999 1.00001 1.00001 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
1.00002 0.99999 1.00002 1.00003 1.00000
1.00000 0.99999 1.00000 1.00000 0.99998
0.99998 1.00003 1.00000 1.00001 1.00001
0.99999 0.99998 0.99996 1.00001 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 20700 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 0.99996 1.00000 0.99999
1.00000 1.00001 1.00000 1.00002 0.99997
0.99998 1.00002 1.00001 0.99998 1.00001
1.00001 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 1.00003 1.00002 1.00002
1.00001 1.00003 1.00002 1.00001 1.00002
1.00004 1.00003 1.00001 1.00001 1.00005
0.99999 1.00000 0.99998 1.00000 0.99998
1.00004 0.99996 0.99998 1.00000 1.00004
0.99997 0.99999 1.00002 0.99999 1.00002
1.00003 1.00001 0.99999 1.00001 0.99998
1.00000 1.00000 1.00000 0.99999 1.00004
1.00003 1.00000 1.00001 0.99998 0.99999
1.00002 1.00000 1.00001 1.00002 0.99999
1.00000 1.00001 0.99999 0.99998 1.00004
1.00001 0.99999 1.00001 1.00001 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
1.00002 0.99999 1.00002 1.00003 1.00000
1.00000 0.99999 1.00000 1.00000 0.99998
0.99998 1.00003 1.00000 1.00001 1.00001
0.99999 0.99998 0.99996 1.00001 0.99998
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> 2404250003232334201.eigenfacs
Openam> file on opening on unit 10:
2404250003232334201.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250003232334201.atom
Openam> file on opening on unit 11:
2404250003232334201.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 = 139
First residue number = 112
Last residue number = 250
Number of atoms found = 1150
Mean number per residue = 8.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9899E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 14.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 14.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 18.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 20.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 22.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 25.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 26.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 28.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 29.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 30.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 32.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 32.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 34.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 35.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 37.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 37.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 39.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 40.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 41.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 43.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 45.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 45.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 46.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 47.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 48.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 49.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 50.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 51.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 51.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 53.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 55.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 56.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 56.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 57.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 58.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 59.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 60.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 61.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 61.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 62.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 63.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 64.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 65.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 66.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 67.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 67.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 70.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 70.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 72.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 73.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 73.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 75.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 75.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 77.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 77.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 78.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 79.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 79.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 80.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 80.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 82.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 82.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 84.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 85.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 85.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 86.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 87.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 87.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 89.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 90.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 90.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 92.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 92.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 93.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 94.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 95.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 95.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 96.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 97.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 98.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 98.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 99.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 99.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 101.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 101.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 102.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Bfactors> 106 vectors, 3450 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 : 5.342000
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= 0.818 for 146 C-alpha atoms.
Bfactors> = 0.029 +/- 0.06
Bfactors> = 16.499 +/- 7.71
Bfactors> Shiftng-fct= 16.470
Bfactors> Scaling-fct= 134.436
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250003232334201 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=0
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=100
2404250003232334201.eigenfacs
2404250003232334201.atom
making animated gifs
11 models are in 2404250003232334201.7.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 2404250003232334201.7.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 2404250003232334201.7.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 2404250003232334201 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=0
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=100
2404250003232334201.eigenfacs
2404250003232334201.atom
making animated gifs
11 models are in 2404250003232334201.8.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 2404250003232334201.8.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 2404250003232334201.8.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 2404250003232334201 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=0
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=100
2404250003232334201.eigenfacs
2404250003232334201.atom
making animated gifs
11 models are in 2404250003232334201.9.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 2404250003232334201.9.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 2404250003232334201.9.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 2404250003232334201 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=0
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=100
2404250003232334201.eigenfacs
2404250003232334201.atom
making animated gifs
11 models are in 2404250003232334201.10.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 2404250003232334201.10.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 2404250003232334201.10.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 2404250003232334201 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=-20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=0
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=20
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=40
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=60
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=80
2404250003232334201.eigenfacs
2404250003232334201.atom
calculating perturbed structure for DQ=100
2404250003232334201.eigenfacs
2404250003232334201.atom
making animated gifs
11 models are in 2404250003232334201.11.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 2404250003232334201.11.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 2404250003232334201.11.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
2404250003232334201.10.pdb
2404250003232334201.11.pdb
2404250003232334201.7.pdb
2404250003232334201.8.pdb
2404250003232334201.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.519s
user 0m8.495s
sys 0m0.024s
../../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: 2404250003232334201.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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