*** LIVA_SerB ***
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 = 2401170857471422894.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 2401170857471422894.atom to be opened.
Openam> File opened: 2401170857471422894.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 = 295
First residue number = 9
Last residue number = 303
Number of atoms found = 2221
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= -2.739348 +/- 12.299371 From: -31.607000 To: 26.161000
= -13.023506 +/- 10.918233 From: -41.755000 To: 10.122000
= 21.453692 +/- 11.082283 From: -3.045000 To: 44.422000
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 3.7843 % Filled.
Pdbmat> 840160 non-zero elements.
Pdbmat> 91886 atom-atom interactions.
Pdbmat> Number per atom= 82.74 +/- 21.64
Maximum number = 127
Minimum number = 14
Pdbmat> Matrix trace = 1.837720E+06
Pdbmat> Larger element = 489.879
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
295 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401170857471422894.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401170857471422894.atom to be opened.
Openam> file on opening on unit 11:
2401170857471422894.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2221 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 295 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 14
Blocpdb> 12 atoms in block 3
Block first atom: 29
Blocpdb> 16 atoms in block 4
Block first atom: 41
Blocpdb> 13 atoms in block 5
Block first atom: 57
Blocpdb> 12 atoms in block 6
Block first atom: 70
Blocpdb> 14 atoms in block 7
Block first atom: 82
Blocpdb> 13 atoms in block 8
Block first atom: 96
Blocpdb> 12 atoms in block 9
Block first atom: 109
Blocpdb> 14 atoms in block 10
Block first atom: 121
Blocpdb> 12 atoms in block 11
Block first atom: 135
Blocpdb> 14 atoms in block 12
Block first atom: 147
Blocpdb> 11 atoms in block 13
Block first atom: 161
Blocpdb> 12 atoms in block 14
Block first atom: 172
Blocpdb> 18 atoms in block 15
Block first atom: 184
Blocpdb> 11 atoms in block 16
Block first atom: 202
Blocpdb> 20 atoms in block 17
Block first atom: 213
Blocpdb> 22 atoms in block 18
Block first atom: 233
Blocpdb> 13 atoms in block 19
Block first atom: 255
Blocpdb> 16 atoms in block 20
Block first atom: 268
Blocpdb> 11 atoms in block 21
Block first atom: 284
Blocpdb> 16 atoms in block 22
Block first atom: 295
Blocpdb> 15 atoms in block 23
Block first atom: 311
Blocpdb> 15 atoms in block 24
Block first atom: 326
Blocpdb> 12 atoms in block 25
Block first atom: 341
Blocpdb> 14 atoms in block 26
Block first atom: 353
Blocpdb> 15 atoms in block 27
Block first atom: 367
Blocpdb> 13 atoms in block 28
Block first atom: 382
Blocpdb> 11 atoms in block 29
Block first atom: 395
Blocpdb> 19 atoms in block 30
Block first atom: 406
Blocpdb> 12 atoms in block 31
Block first atom: 425
Blocpdb> 16 atoms in block 32
Block first atom: 437
Blocpdb> 9 atoms in block 33
Block first atom: 453
Blocpdb> 15 atoms in block 34
Block first atom: 462
Blocpdb> 15 atoms in block 35
Block first atom: 477
Blocpdb> 14 atoms in block 36
Block first atom: 492
Blocpdb> 18 atoms in block 37
Block first atom: 506
Blocpdb> 18 atoms in block 38
Block first atom: 524
Blocpdb> 22 atoms in block 39
Block first atom: 542
Blocpdb> 20 atoms in block 40
Block first atom: 564
Blocpdb> 17 atoms in block 41
Block first atom: 584
Blocpdb> 16 atoms in block 42
Block first atom: 601
Blocpdb> 13 atoms in block 43
Block first atom: 617
Blocpdb> 16 atoms in block 44
Block first atom: 630
Blocpdb> 13 atoms in block 45
Block first atom: 646
Blocpdb> 16 atoms in block 46
Block first atom: 659
Blocpdb> 13 atoms in block 47
Block first atom: 675
Blocpdb> 15 atoms in block 48
Block first atom: 688
Blocpdb> 16 atoms in block 49
Block first atom: 703
Blocpdb> 17 atoms in block 50
Block first atom: 719
Blocpdb> 14 atoms in block 51
Block first atom: 736
Blocpdb> 14 atoms in block 52
Block first atom: 750
Blocpdb> 12 atoms in block 53
Block first atom: 764
Blocpdb> 19 atoms in block 54
Block first atom: 776
Blocpdb> 17 atoms in block 55
Block first atom: 795
Blocpdb> 10 atoms in block 56
Block first atom: 812
Blocpdb> 15 atoms in block 57
Block first atom: 822
Blocpdb> 16 atoms in block 58
Block first atom: 837
Blocpdb> 18 atoms in block 59
Block first atom: 853
Blocpdb> 12 atoms in block 60
Block first atom: 871
Blocpdb> 17 atoms in block 61
Block first atom: 883
Blocpdb> 16 atoms in block 62
Block first atom: 900
Blocpdb> 22 atoms in block 63
Block first atom: 916
Blocpdb> 13 atoms in block 64
Block first atom: 938
Blocpdb> 20 atoms in block 65
Block first atom: 951
Blocpdb> 18 atoms in block 66
Block first atom: 971
Blocpdb> 13 atoms in block 67
Block first atom: 989
Blocpdb> 17 atoms in block 68
Block first atom: 1002
Blocpdb> 12 atoms in block 69
Block first atom: 1019
Blocpdb> 15 atoms in block 70
Block first atom: 1031
Blocpdb> 13 atoms in block 71
Block first atom: 1046
Blocpdb> 16 atoms in block 72
Block first atom: 1059
Blocpdb> 16 atoms in block 73
Block first atom: 1075
Blocpdb> 14 atoms in block 74
Block first atom: 1091
Blocpdb> 18 atoms in block 75
Block first atom: 1105
Blocpdb> 15 atoms in block 76
Block first atom: 1123
Blocpdb> 15 atoms in block 77
Block first atom: 1138
Blocpdb> 11 atoms in block 78
Block first atom: 1153
Blocpdb> 11 atoms in block 79
Block first atom: 1164
Blocpdb> 17 atoms in block 80
Block first atom: 1175
Blocpdb> 18 atoms in block 81
Block first atom: 1192
Blocpdb> 15 atoms in block 82
Block first atom: 1210
Blocpdb> 20 atoms in block 83
Block first atom: 1225
Blocpdb> 14 atoms in block 84
Block first atom: 1245
Blocpdb> 17 atoms in block 85
Block first atom: 1259
Blocpdb> 12 atoms in block 86
Block first atom: 1276
Blocpdb> 15 atoms in block 87
Block first atom: 1288
Blocpdb> 10 atoms in block 88
Block first atom: 1303
Blocpdb> 15 atoms in block 89
Block first atom: 1313
Blocpdb> 17 atoms in block 90
Block first atom: 1328
Blocpdb> 18 atoms in block 91
Block first atom: 1345
Blocpdb> 22 atoms in block 92
Block first atom: 1363
Blocpdb> 13 atoms in block 93
Block first atom: 1385
Blocpdb> 17 atoms in block 94
Block first atom: 1398
Blocpdb> 12 atoms in block 95
Block first atom: 1415
Blocpdb> 19 atoms in block 96
Block first atom: 1427
Blocpdb> 18 atoms in block 97
Block first atom: 1446
Blocpdb> 16 atoms in block 98
Block first atom: 1464
Blocpdb> 19 atoms in block 99
Block first atom: 1480
Blocpdb> 16 atoms in block 100
Block first atom: 1499
Blocpdb> 16 atoms in block 101
Block first atom: 1515
Blocpdb> 11 atoms in block 102
Block first atom: 1531
Blocpdb> 19 atoms in block 103
Block first atom: 1542
Blocpdb> 11 atoms in block 104
Block first atom: 1561
Blocpdb> 14 atoms in block 105
Block first atom: 1572
Blocpdb> 14 atoms in block 106
Block first atom: 1586
Blocpdb> 15 atoms in block 107
Block first atom: 1600
Blocpdb> 12 atoms in block 108
Block first atom: 1615
Blocpdb> 20 atoms in block 109
Block first atom: 1627
Blocpdb> 14 atoms in block 110
Block first atom: 1647
Blocpdb> 16 atoms in block 111
Block first atom: 1661
Blocpdb> 17 atoms in block 112
Block first atom: 1677
Blocpdb> 16 atoms in block 113
Block first atom: 1694
Blocpdb> 13 atoms in block 114
Block first atom: 1710
Blocpdb> 20 atoms in block 115
Block first atom: 1723
Blocpdb> 11 atoms in block 116
Block first atom: 1743
Blocpdb> 15 atoms in block 117
Block first atom: 1754
Blocpdb> 16 atoms in block 118
Block first atom: 1769
Blocpdb> 13 atoms in block 119
Block first atom: 1785
Blocpdb> 13 atoms in block 120
Block first atom: 1798
Blocpdb> 11 atoms in block 121
Block first atom: 1811
Blocpdb> 12 atoms in block 122
Block first atom: 1822
Blocpdb> 13 atoms in block 123
Block first atom: 1834
Blocpdb> 16 atoms in block 124
Block first atom: 1847
Blocpdb> 12 atoms in block 125
Block first atom: 1863
Blocpdb> 17 atoms in block 126
Block first atom: 1875
Blocpdb> 13 atoms in block 127
Block first atom: 1892
Blocpdb> 11 atoms in block 128
Block first atom: 1905
Blocpdb> 11 atoms in block 129
Block first atom: 1916
Blocpdb> 13 atoms in block 130
Block first atom: 1927
Blocpdb> 15 atoms in block 131
Block first atom: 1940
Blocpdb> 16 atoms in block 132
Block first atom: 1955
Blocpdb> 12 atoms in block 133
Block first atom: 1971
Blocpdb> 10 atoms in block 134
Block first atom: 1983
Blocpdb> 14 atoms in block 135
Block first atom: 1993
Blocpdb> 17 atoms in block 136
Block first atom: 2007
Blocpdb> 27 atoms in block 137
Block first atom: 2024
Blocpdb> 18 atoms in block 138
Block first atom: 2051
Blocpdb> 12 atoms in block 139
Block first atom: 2069
Blocpdb> 15 atoms in block 140
Block first atom: 2081
Blocpdb> 13 atoms in block 141
Block first atom: 2096
Blocpdb> 20 atoms in block 142
Block first atom: 2109
Blocpdb> 17 atoms in block 143
Block first atom: 2129
Blocpdb> 16 atoms in block 144
Block first atom: 2146
Blocpdb> 20 atoms in block 145
Block first atom: 2162
Blocpdb> 13 atoms in block 146
Block first atom: 2182
Blocpdb> 18 atoms in block 147
Block first atom: 2195
Blocpdb> 9 atoms in block 148
Block first atom: 2212
Blocpdb> 148 blocks.
Blocpdb> At most, 27 atoms in each of them.
Blocpdb> At least, 9 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> 840308 matrix lines read.
Prepmat> Matrix order = 6663
Prepmat> Matrix trace = 1837720.0000
Prepmat> Last element read: 6663 6663 75.6887
Prepmat> 11027 lines saved.
Prepmat> 9312 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: 2221
RTB> Total mass = 2221.0000
RTB> Number of atoms found in matrix: 2221
RTB> Number of blocks = 148
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 210058.2534
RTB> 59484 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 = 888
Diagstd> Nb of non-zero elements: 59484
Diagstd> Projected matrix trace = 210058.2534
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 888 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 210058.2534
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 2.2672388 2.9165611 3.4877940 6.6512685
8.0465916 8.5444151 11.3678916 15.6400792 15.9435106
17.0461845 18.3381855 18.9783377 20.6627681 22.3090037
23.2636724 24.4080236 24.9426738 26.2601001 26.5957870
27.8568221 29.0658303 29.2311863 31.7746449 32.4475213
33.1802390 33.4222785 34.4624309 35.8508298 35.9957840
36.7933922 37.1837283 37.9833398 38.7446530 39.9980560
40.1524618 41.3672717 41.4823395 43.4029073 44.7627413
45.5628860 46.0397868 46.5575159 47.0507897 47.7040751
48.2319793 49.2011731 50.0799921 51.2287461 52.2690843
52.7839113 53.9329408 54.3516912 55.4706123 56.1076769
56.7839454 57.6571919 58.3754107 59.4449388 59.8130689
60.6290793 61.3776644 62.4732283 63.1213371 64.0611088
64.7908576 65.1480326 66.1004860 66.4780229 68.0108653
68.5247133 68.8670132 69.6043822 70.4219847 71.9219648
72.5083291 73.6595410 74.4748545 75.0087058 75.5014450
76.1892806 77.0517225 77.2029126 78.0601986 78.8269140
79.4516583 79.6399627 80.5265842 81.2339768 81.6499321
83.0215836 83.8676997 84.2320259 84.6454216 84.9289297
86.4199177 86.8737563 87.6326389 87.8774259 88.1585843
88.7806359
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034325 0.0034325 0.0034327 0.0034343 0.0034344
0.0034346 163.5098464 185.4517013 202.8012801 280.0577023
308.0358470 317.4215807 366.1299386 429.4521226 433.5979878
448.3414294 465.0219592 473.0688649 493.6163435 512.9031525
523.7625195 536.4899459 542.3339399 556.4721947 560.0176351
573.1404569 585.4457356 587.1086791 612.1186806 618.5659977
625.5111210 627.7884300 637.4824519 650.1968874 651.5100193
658.6886729 662.1734246 669.2553546 675.9291371 686.7753866
688.0997007 698.4313416 699.4020500 715.4094802 726.5301101
732.9947982 736.8208929 740.9521804 744.8670077 750.0203037
754.1588337 761.6983397 768.4708639 777.2346311 785.0868916
788.9437940 797.4846478 800.5746080 808.7732157 813.4042248
818.2915423 824.5595460 829.6792998 837.2453077 839.8337493
845.5431333 850.7470645 858.3062095 862.7468359 869.1455402
874.0819351 876.4879154 882.8717215 885.3894189 895.5388487
898.9155511 901.1579203 905.9694889 911.2749049 920.9287940
924.6752406 931.9868497 937.1305849 940.4833607 943.5673662
947.8556796 953.2053172 954.1400435 959.4229574 964.1232198
967.9362688 969.0826190 974.4620248 978.7327880 981.2353694
989.4430145 994.4721975 996.6298793 999.0725268 1000.7442552
1009.4904258 1012.1376504 1016.5487841 1017.9675730 1019.5947343
1023.1855683
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2221
Rtb_to_modes> Number of blocs = 148
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: 9.9915E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9927E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.267
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.917
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.488
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.651
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.047
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.544
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 15.64
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 15.94
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 17.05
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 22.31
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 23.26
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 24.41
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.94
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 26.26
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 26.60
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 29.07
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 31.77
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 32.45
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 33.18
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 33.42
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 34.46
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 35.85
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 36.00
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 36.79
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.18
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 37.98
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 38.74
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 40.00
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 40.15
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 41.37
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.48
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 43.40
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 44.76
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 45.56
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 46.56
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 47.05
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 47.70
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.23
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.20
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 50.08
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 51.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 52.27
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 52.78
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 53.93
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 54.35
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 55.47
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 56.11
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 56.78
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 57.66
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 58.38
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 59.44
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 59.81
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 60.63
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 61.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 63.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 64.06
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 64.79
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 65.15
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 66.10
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 66.48
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 68.01
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 68.52
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 68.87
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 69.60
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 70.42
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 71.92
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 72.51
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 73.66
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 74.47
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 75.01
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 75.50
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 76.19
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 77.05
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 77.20
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 78.06
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 78.83
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 79.45
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 80.53
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 81.23
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 81.65
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 83.02
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 83.87
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 84.23
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 84.65
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 84.93
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 86.42
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 86.87
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 87.63
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 87.88
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 88.16
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 88.78
Rtb_to_modes> 106 vectors, with 888 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 1.00001 0.99999 1.00001
1.00000 1.00000 1.00001 1.00000 1.00000
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99999 0.99999 1.00000 0.99998
0.99999 1.00002 1.00001 1.00003 0.99999
1.00003 1.00000 1.00004 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00001
1.00004 1.00000 1.00000 0.99999 1.00001
1.00001 1.00001 1.00001 1.00002 0.99999
1.00000 1.00000 0.99999 0.99998 0.99999
0.99998 1.00001 1.00002 0.99998 0.99999
1.00001 0.99996 0.99999 1.00000 1.00000
0.99997 1.00000 1.00001 1.00000 1.00000
1.00000 0.99997 0.99999 1.00000 1.00001
0.99998 0.99999 0.99999 0.99999 1.00001
1.00000 1.00000 0.99999 1.00001 1.00002
1.00000 1.00000 0.99999 0.99999 1.00001
1.00000 1.00001 0.99997 1.00000 1.00001
1.00001 1.00003 0.99999 0.99999 0.99999
0.99999 1.00000 0.99998 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 39978 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 1.00001 0.99999 1.00001
1.00000 1.00000 1.00001 1.00000 1.00000
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99999 0.99999 1.00000 0.99998
0.99999 1.00002 1.00001 1.00003 0.99999
1.00003 1.00000 1.00004 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00001
1.00004 1.00000 1.00000 0.99999 1.00001
1.00001 1.00001 1.00001 1.00002 0.99999
1.00000 1.00000 0.99999 0.99998 0.99999
0.99998 1.00001 1.00002 0.99998 0.99999
1.00001 0.99996 0.99999 1.00000 1.00000
0.99997 1.00000 1.00001 1.00000 1.00000
1.00000 0.99997 0.99999 1.00000 1.00001
0.99998 0.99999 0.99999 0.99999 1.00001
1.00000 1.00000 0.99999 1.00001 1.00002
1.00000 1.00000 0.99999 0.99999 1.00001
1.00000 1.00001 0.99997 1.00000 1.00001
1.00001 1.00003 0.99999 0.99999 0.99999
0.99999 1.00000 0.99998 1.00000 1.00000
1.00000
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> 2401170857471422894.eigenfacs
Openam> file on opening on unit 10:
2401170857471422894.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401170857471422894.atom
Openam> file on opening on unit 11:
2401170857471422894.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 = 295
First residue number = 9
Last residue number = 303
Number of atoms found = 2221
Mean number per residue = 7.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9927E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 22.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 23.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 24.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 26.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 26.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 29.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 31.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 32.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 33.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 33.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 34.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 35.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 36.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 36.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 37.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 38.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 40.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 40.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 41.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 43.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 44.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 45.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 46.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 47.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 47.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 50.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 51.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 52.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 52.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 53.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 54.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 55.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 56.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 56.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 57.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 58.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 59.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 59.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 60.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 61.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 63.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 64.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 64.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 65.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 66.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 66.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 68.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 68.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 68.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 69.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 70.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 71.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 72.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 73.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 74.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 75.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 75.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 76.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 77.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 77.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 78.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 78.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 79.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 80.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 81.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 81.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 83.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 83.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 84.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 84.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 84.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 86.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 86.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 87.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 87.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 88.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 88.78
Bfactors> 106 vectors, 6663 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 : 2.267000
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= 0.733 for 300 C-alpha atoms.
Bfactors> = 0.023 +/- 0.02
Bfactors> = 49.587 +/- 14.61
Bfactors> Shiftng-fct= 49.563
Bfactors> Scaling-fct= 759.096
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401170857471422894 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=0
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=100
2401170857471422894.eigenfacs
2401170857471422894.atom
making animated gifs
11 models are in 2401170857471422894.7.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 2401170857471422894.7.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 2401170857471422894.7.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 2401170857471422894 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=0
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=100
2401170857471422894.eigenfacs
2401170857471422894.atom
making animated gifs
11 models are in 2401170857471422894.8.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 2401170857471422894.8.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 2401170857471422894.8.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 2401170857471422894 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=0
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=100
2401170857471422894.eigenfacs
2401170857471422894.atom
making animated gifs
11 models are in 2401170857471422894.9.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 2401170857471422894.9.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 2401170857471422894.9.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 2401170857471422894 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=0
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=100
2401170857471422894.eigenfacs
2401170857471422894.atom
making animated gifs
11 models are in 2401170857471422894.10.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 2401170857471422894.10.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 2401170857471422894.10.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 2401170857471422894 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=-20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=0
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=20
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=40
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=60
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=80
2401170857471422894.eigenfacs
2401170857471422894.atom
calculating perturbed structure for DQ=100
2401170857471422894.eigenfacs
2401170857471422894.atom
making animated gifs
11 models are in 2401170857471422894.11.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 2401170857471422894.11.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 2401170857471422894.11.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
2401170857471422894.10.pdb
2401170857471422894.11.pdb
2401170857471422894.7.pdb
2401170857471422894.8.pdb
2401170857471422894.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.633s
user 0m11.605s
sys 0m0.028s
../../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: 2401170857471422894.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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