*** HYDROLASE 05-OCT-06 2IN0 ***
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 = 2405010249283871831.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 2405010249283871831.atom to be opened.
Openam> File opened: 2405010249283871831.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 = 1
Last residue number = 440
Number of atoms found = 1088
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 1.533052 +/- 8.651125 From: -17.452000 To: 18.826000
= 0.879231 +/- 6.119054 From: -13.532000 To: 18.250000
= 20.150826 +/- 9.150758 From: 0.074000 To: 40.779000
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 7.4780 % Filled.
Pdbmat> 398465 non-zero elements.
Pdbmat> 43558 atom-atom interactions.
Pdbmat> Number per atom= 80.07 +/- 22.20
Maximum number = 127
Minimum number = 15
Pdbmat> Matrix trace = 871160.
Pdbmat> Larger element = 467.849
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 = 2405010249283871831.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 2405010249283871831.atom to be opened.
Openam> file on opening on unit 11:
2405010249283871831.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1088 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> 6 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 7
Blocpdb> 5 atoms in block 3
Block first atom: 15
Blocpdb> 9 atoms in block 4
Block first atom: 20
Blocpdb> 4 atoms in block 5
Block first atom: 29
Blocpdb> 7 atoms in block 6
Block first atom: 33
Blocpdb> 11 atoms in block 7
Block first atom: 40
Blocpdb> 8 atoms in block 8
Block first atom: 51
Blocpdb> 11 atoms in block 9
Block first atom: 59
Blocpdb> 8 atoms in block 10
Block first atom: 70
Blocpdb> 7 atoms in block 11
Block first atom: 78
Blocpdb> 7 atoms in block 12
Block first atom: 85
Blocpdb> 7 atoms in block 13
Block first atom: 92
Blocpdb> 4 atoms in block 14
Block first atom: 99
Blocpdb> 7 atoms in block 15
Block first atom: 103
Blocpdb> 7 atoms in block 16
Block first atom: 110
Blocpdb> 10 atoms in block 17
Block first atom: 117
Blocpdb> 11 atoms in block 18
Block first atom: 127
Blocpdb> 8 atoms in block 19
Block first atom: 138
Blocpdb> 9 atoms in block 20
Block first atom: 146
Blocpdb> 8 atoms in block 21
Block first atom: 155
Blocpdb> 7 atoms in block 22
Block first atom: 163
Blocpdb> 7 atoms in block 23
Block first atom: 170
Blocpdb> 8 atoms in block 24
Block first atom: 177
Blocpdb> 4 atoms in block 25
Block first atom: 185
Blocpdb> 11 atoms in block 26
Block first atom: 189
Blocpdb> 9 atoms in block 27
Block first atom: 200
Blocpdb> 7 atoms in block 28
Block first atom: 209
Blocpdb> 8 atoms in block 29
Block first atom: 216
Blocpdb> 10 atoms in block 30
Block first atom: 224
Blocpdb> 7 atoms in block 31
Block first atom: 234
Blocpdb> 7 atoms in block 32
Block first atom: 241
Blocpdb> 5 atoms in block 33
Block first atom: 248
Blocpdb> 5 atoms in block 34
Block first atom: 253
Blocpdb> 5 atoms in block 35
Block first atom: 258
Blocpdb> 9 atoms in block 36
Block first atom: 263
Blocpdb> 8 atoms in block 37
Block first atom: 272
Blocpdb> 4 atoms in block 38
Block first atom: 280
Blocpdb> 7 atoms in block 39
Block first atom: 284
Blocpdb> 8 atoms in block 40
Block first atom: 291
Blocpdb> 10 atoms in block 41
Block first atom: 299
Blocpdb> 5 atoms in block 42
Block first atom: 309
Blocpdb> 11 atoms in block 43
Block first atom: 314
Blocpdb> 7 atoms in block 44
Block first atom: 325
Blocpdb> 7 atoms in block 45
Block first atom: 332
Blocpdb> 7 atoms in block 46
Block first atom: 339
Blocpdb> 6 atoms in block 47
Block first atom: 346
Blocpdb> 14 atoms in block 48
Block first atom: 352
Blocpdb> 11 atoms in block 49
Block first atom: 366
Blocpdb> 8 atoms in block 50
Block first atom: 377
Blocpdb> 9 atoms in block 51
Block first atom: 385
Blocpdb> 4 atoms in block 52
Block first atom: 394
Blocpdb> 7 atoms in block 53
Block first atom: 398
Blocpdb> 11 atoms in block 54
Block first atom: 405
Blocpdb> 8 atoms in block 55
Block first atom: 416
Blocpdb> 7 atoms in block 56
Block first atom: 424
Blocpdb> 8 atoms in block 57
Block first atom: 431
Blocpdb> 4 atoms in block 58
Block first atom: 439
Blocpdb> 8 atoms in block 59
Block first atom: 443
Blocpdb> 11 atoms in block 60
Block first atom: 451
Blocpdb> 8 atoms in block 61
Block first atom: 462
Blocpdb> 5 atoms in block 62
Block first atom: 470
Blocpdb> 4 atoms in block 63
Block first atom: 475
Blocpdb> 4 atoms in block 64
Block first atom: 479
Blocpdb> 5 atoms in block 65
Block first atom: 483
Blocpdb> 8 atoms in block 66
Block first atom: 488
Blocpdb> 8 atoms in block 67
Block first atom: 496
Blocpdb> 14 atoms in block 68
Block first atom: 504
Blocpdb> 5 atoms in block 69
Block first atom: 518
Blocpdb> 7 atoms in block 70
Block first atom: 523
Blocpdb> 7 atoms in block 71
Block first atom: 530
Blocpdb> 8 atoms in block 72
Block first atom: 537
Blocpdb> 10 atoms in block 73
Block first atom: 545
Blocpdb> 9 atoms in block 74
Block first atom: 555
Blocpdb> 7 atoms in block 75
Block first atom: 564
Blocpdb> 8 atoms in block 76
Block first atom: 571
Blocpdb> 7 atoms in block 77
Block first atom: 579
Blocpdb> 9 atoms in block 78
Block first atom: 586
Blocpdb> 12 atoms in block 79
Block first atom: 595
Blocpdb> 4 atoms in block 80
Block first atom: 607
Blocpdb> 14 atoms in block 81
Block first atom: 611
Blocpdb> 11 atoms in block 82
Block first atom: 625
Blocpdb> 5 atoms in block 83
Block first atom: 636
Blocpdb> 5 atoms in block 84
Block first atom: 641
Blocpdb> 4 atoms in block 85
Block first atom: 646
Blocpdb> 9 atoms in block 86
Block first atom: 650
Blocpdb> 8 atoms in block 87
Block first atom: 659
Blocpdb> 11 atoms in block 88
Block first atom: 667
Blocpdb> 9 atoms in block 89
Block first atom: 678
Blocpdb> 4 atoms in block 90
Block first atom: 687
Blocpdb> 8 atoms in block 91
Block first atom: 691
Blocpdb> 11 atoms in block 92
Block first atom: 699
Blocpdb> 7 atoms in block 93
Block first atom: 710
Blocpdb> 5 atoms in block 94
Block first atom: 717
Blocpdb> 7 atoms in block 95
Block first atom: 722
Blocpdb> 11 atoms in block 96
Block first atom: 729
Blocpdb> 8 atoms in block 97
Block first atom: 740
Blocpdb> 7 atoms in block 98
Block first atom: 748
Blocpdb> 9 atoms in block 99
Block first atom: 755
Blocpdb> 7 atoms in block 100
Block first atom: 764
Blocpdb> 4 atoms in block 101
Block first atom: 771
Blocpdb> 9 atoms in block 102
Block first atom: 775
Blocpdb> 8 atoms in block 103
Block first atom: 784
Blocpdb> 11 atoms in block 104
Block first atom: 792
Blocpdb> 12 atoms in block 105
Block first atom: 803
Blocpdb> 6 atoms in block 106
Block first atom: 815
Blocpdb> 7 atoms in block 107
Block first atom: 821
Blocpdb> 8 atoms in block 108
Block first atom: 828
Blocpdb> 11 atoms in block 109
Block first atom: 836
Blocpdb> 9 atoms in block 110
Block first atom: 847
Blocpdb> 7 atoms in block 111
Block first atom: 856
Blocpdb> 8 atoms in block 112
Block first atom: 863
Blocpdb> 7 atoms in block 113
Block first atom: 871
Blocpdb> 7 atoms in block 114
Block first atom: 878
Blocpdb> 11 atoms in block 115
Block first atom: 885
Blocpdb> 11 atoms in block 116
Block first atom: 896
Blocpdb> 5 atoms in block 117
Block first atom: 907
Blocpdb> 11 atoms in block 118
Block first atom: 912
Blocpdb> 7 atoms in block 119
Block first atom: 923
Blocpdb> 11 atoms in block 120
Block first atom: 930
Blocpdb> 8 atoms in block 121
Block first atom: 941
Blocpdb> 8 atoms in block 122
Block first atom: 949
Blocpdb> 9 atoms in block 123
Block first atom: 957
Blocpdb> 7 atoms in block 124
Block first atom: 966
Blocpdb> 9 atoms in block 125
Block first atom: 973
Blocpdb> 9 atoms in block 126
Block first atom: 982
Blocpdb> 8 atoms in block 127
Block first atom: 991
Blocpdb> 10 atoms in block 128
Block first atom: 999
Blocpdb> 7 atoms in block 129
Block first atom: 1009
Blocpdb> 8 atoms in block 130
Block first atom: 1016
Blocpdb> 7 atoms in block 131
Block first atom: 1024
Blocpdb> 5 atoms in block 132
Block first atom: 1031
Blocpdb> 9 atoms in block 133
Block first atom: 1036
Blocpdb> 4 atoms in block 134
Block first atom: 1045
Blocpdb> 7 atoms in block 135
Block first atom: 1049
Blocpdb> 7 atoms in block 136
Block first atom: 1056
Blocpdb> 7 atoms in block 137
Block first atom: 1063
Blocpdb> 10 atoms in block 138
Block first atom: 1070
Blocpdb> 9 atoms in block 139
Block first atom: 1079
Blocpdb> 139 blocks.
Blocpdb> At most, 14 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> 398604 matrix lines read.
Prepmat> Matrix order = 3264
Prepmat> Matrix trace = 871160.0000
Prepmat> Last element read: 3264 3264 395.9797
Prepmat> 9731 lines saved.
Prepmat> 7970 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: 1088
RTB> Total mass = 1088.0000
RTB> Number of atoms found in matrix: 1088
RTB> Number of blocks = 139
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 207595.2346
RTB> 61275 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: 61275
Diagstd> Projected matrix trace = 207595.2346
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 = 207595.2346
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 5.3478582 7.8388277 8.7222616 12.0780499
13.0036413 14.5940035 16.1592631 18.2024349 19.4361662
20.6831737 21.2471713 21.5670141 23.2436090 25.9586721
27.8756063 29.2236057 29.8598774 31.8216979 33.0416859
34.5914931 35.4897537 37.3048630 38.1701568 38.3048411
41.1078216 42.2026013 43.1762721 43.5359139 44.9856112
45.8669047 46.4487272 50.2184515 50.3664702 51.2309332
51.6918292 52.8944928 53.9290619 54.9221404 56.1280915
57.6305643 58.2610990 59.0798523 59.1782525 61.9155077
63.2002917 64.2193718 64.3652129 65.1348049 67.1600137
68.4562134 69.2442653 70.9221033 71.0556321 73.3080170
75.1299104 75.9896658 77.5408897 78.1431298 78.6679485
79.1182080 80.5286811 81.2937314 82.7321715 83.6118371
84.2247348 84.5705838 86.1268514 86.5510547 88.0922292
88.7637017 89.8258883 90.5292201 91.1882053 92.6692987
93.7317462 95.1679772 95.2633866 96.1206220 96.5676212
98.3358906 98.6193799 99.1359867 99.8667141 101.4063398
101.7406928 102.7490240 103.5949996 104.1865772 105.7498606
106.8968970 107.9546344 108.2802769 108.9724257 109.5965342
109.8869393 111.1890439 111.8346205 112.8574436 114.1557559
114.4706297
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034334 0.0034335 0.0034341 0.0034342
0.0034350 251.1222652 304.0330795 320.7080306 377.3928698
391.5865532 414.8417942 436.5219196 463.2975710 478.7409552
493.8600206 500.5481260 504.3015361 523.5366155 553.2692288
573.3336622 587.0325460 593.3887253 612.5717362 624.2037591
638.6750263 646.9143319 663.2511399 670.8991661 672.0817660
696.2376616 705.4478118 713.5392234 716.5048147 728.3365301
735.4361889 740.0860009 769.5324516 770.6657139 777.2512224
780.7396411 789.7697743 797.4559691 804.7648649 813.5521890
824.3691224 828.8665562 834.6703394 835.3651405 854.4664189
863.2862462 870.2184898 871.2060554 876.3989299 889.9193877
898.4661440 903.6228120 914.5049984 915.3654873 929.7603383
941.2429053 946.6131812 956.2262688 959.9324677 963.1505846
965.9029700 974.4747120 979.0926931 987.7169166 992.9540769
996.5867447 998.6307724 1007.7772859 1010.2560560 1019.2109487
1023.0879816 1029.1911441 1033.2125428 1036.9662326 1045.3535984
1051.3289758 1059.3529971 1059.8838839 1064.6419301 1067.1145632
1076.8403187 1078.3913957 1081.2122237 1085.1896939 1093.5227783
1095.3240553 1100.7384393 1105.2605700 1108.4118636 1116.6965696
1122.7364688 1128.2774951 1129.9779244 1133.5836920 1136.8251959
1138.3303599 1145.0548173 1148.3741674 1153.6136456 1160.2302580
1161.8292772
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1088
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: 9.9942E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.348
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.839
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.722
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 12.08
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 14.59
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.16
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 18.20
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 19.44
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.68
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 21.25
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 23.24
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 25.96
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 27.88
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 29.22
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 29.86
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 31.82
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 34.59
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 35.49
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 37.30
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 38.17
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 41.11
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 42.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 43.18
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 43.54
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 44.99
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 45.87
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 46.45
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 50.22
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 50.37
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 51.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 51.69
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 52.89
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 53.93
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 54.92
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 56.13
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 57.63
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 58.26
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 59.08
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 59.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 61.92
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 63.20
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 64.22
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 64.37
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 65.13
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 67.16
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 68.46
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 69.24
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 70.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 71.06
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 73.31
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 75.13
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 75.99
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 77.54
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 78.14
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 78.67
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 79.12
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 80.53
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 81.29
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 82.73
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 83.61
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 84.22
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 84.57
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 86.13
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 86.55
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 88.09
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 88.76
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 89.83
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 90.53
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 91.19
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 92.67
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 93.73
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 95.17
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 95.26
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 96.12
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 96.57
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 98.34
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 98.62
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 99.14
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 99.87
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 101.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 102.7
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 103.6
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 104.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 106.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 108.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 109.0
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 109.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 111.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 111.8
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 114.2
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 114.5
Rtb_to_modes> 106 vectors, with 834 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 0.99998 1.00000 0.99997
1.00001 1.00004 1.00000 0.99999 1.00003
1.00003 1.00001 1.00003 1.00000 1.00000
1.00000 1.00002 0.99998 1.00000 1.00003
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 0.99999 0.99999 0.99999
1.00001 1.00000 0.99998 0.99995 1.00000
1.00004 0.99997 1.00002 1.00000 1.00001
0.99998 0.99999 1.00004 1.00000 1.00000
1.00002 1.00000 1.00001 0.99999 1.00003
0.99999 1.00000 1.00000 0.99997 0.99997
0.99999 1.00000 1.00002 1.00001 0.99996
0.99998 1.00002 0.99999 0.99998 1.00002
1.00000 1.00000 0.99999 1.00000 0.99997
1.00000 0.99999 0.99999 1.00000 1.00000
1.00003 1.00001 0.99998 0.99997 1.00000
1.00000 1.00000 0.99999 0.99998 1.00004
0.99999 1.00002 0.99998 1.00000 0.99999
1.00001 1.00000 1.00000 0.99998 0.99998
1.00001 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 0.99999 1.00000 0.99999
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 19584 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 0.99998 1.00000 0.99997
1.00001 1.00004 1.00000 0.99999 1.00003
1.00003 1.00001 1.00003 1.00000 1.00000
1.00000 1.00002 0.99998 1.00000 1.00003
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 0.99999 0.99999 0.99999
1.00001 1.00000 0.99998 0.99995 1.00000
1.00004 0.99997 1.00002 1.00000 1.00001
0.99998 0.99999 1.00004 1.00000 1.00000
1.00002 1.00000 1.00001 0.99999 1.00003
0.99999 1.00000 1.00000 0.99997 0.99997
0.99999 1.00000 1.00002 1.00001 0.99996
0.99998 1.00002 0.99999 0.99998 1.00002
1.00000 1.00000 0.99999 1.00000 0.99997
1.00000 0.99999 0.99999 1.00000 1.00000
1.00003 1.00001 0.99998 0.99997 1.00000
1.00000 1.00000 0.99999 0.99998 1.00004
0.99999 1.00002 0.99998 1.00000 0.99999
1.00001 1.00000 1.00000 0.99998 0.99998
1.00001 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 0.99999 1.00000 0.99999
0.99997
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> 2405010249283871831.eigenfacs
Openam> file on opening on unit 10:
2405010249283871831.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2405010249283871831.atom
Openam> file on opening on unit 11:
2405010249283871831.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 = 1
Last residue number = 440
Number of atoms found = 1088
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 18.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 21.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 23.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 25.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 27.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 29.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 29.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 31.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 34.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 35.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 37.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 38.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 41.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 42.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 43.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 43.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 44.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 45.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 46.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 50.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 50.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 51.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 51.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 52.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 53.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 54.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 56.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 57.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 58.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 59.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 59.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 61.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 63.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 64.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 64.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 65.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 67.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 68.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 69.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 70.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 71.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 73.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 75.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 75.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 77.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 78.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 78.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 79.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 80.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 81.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 82.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 83.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 84.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 84.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 86.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 86.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 88.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 88.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 89.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 90.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 91.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 92.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 93.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 95.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 95.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 96.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 96.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 98.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 98.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 99.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 99.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 102.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 103.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 106.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 108.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 109.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 109.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 111.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 114.5
Bfactors> 106 vectors, 3264 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 : 5.348000
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= 0.644 for 139 C-alpha atoms.
Bfactors> = 0.026 +/- 0.03
Bfactors> = 22.206 +/- 4.81
Bfactors> Shiftng-fct= 22.180
Bfactors> Scaling-fct= 159.715
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2405010249283871831 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=0
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=100
2405010249283871831.eigenfacs
2405010249283871831.atom
making animated gifs
11 models are in 2405010249283871831.7.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 2405010249283871831.7.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 2405010249283871831.7.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 2405010249283871831 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=0
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=100
2405010249283871831.eigenfacs
2405010249283871831.atom
making animated gifs
11 models are in 2405010249283871831.8.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 2405010249283871831.8.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 2405010249283871831.8.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 2405010249283871831 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=0
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=100
2405010249283871831.eigenfacs
2405010249283871831.atom
making animated gifs
11 models are in 2405010249283871831.9.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 2405010249283871831.9.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 2405010249283871831.9.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 2405010249283871831 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=0
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=100
2405010249283871831.eigenfacs
2405010249283871831.atom
making animated gifs
11 models are in 2405010249283871831.10.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 2405010249283871831.10.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 2405010249283871831.10.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 2405010249283871831 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=-20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=0
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=20
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=40
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=60
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=80
2405010249283871831.eigenfacs
2405010249283871831.atom
calculating perturbed structure for DQ=100
2405010249283871831.eigenfacs
2405010249283871831.atom
making animated gifs
11 models are in 2405010249283871831.11.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 2405010249283871831.11.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 2405010249283871831.11.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
2405010249283871831.10.pdb
2405010249283871831.11.pdb
2405010249283871831.7.pdb
2405010249283871831.8.pdb
2405010249283871831.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.290s
user 0m8.258s
sys 0m0.032s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2405010249283871831.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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