*** 4GAL_1 ***
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 = 240222214609410939.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 240222214609410939.atom to be opened.
Openam> File opened: 240222214609410939.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 = 270
First residue number = 1
Last residue number = 135
Number of atoms found = 2116
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 24.022216 +/- 12.784823 From: -5.091000 To: 53.838000
= 44.699896 +/- 8.073987 From: 25.299000 To: 62.965000
= 55.437858 +/- 13.273997 From: 23.545000 To: 85.595000
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 3.8169 % Filled.
Pdbmat> 769162 non-zero elements.
Pdbmat> 84064 atom-atom interactions.
Pdbmat> Number per atom= 79.46 +/- 22.49
Maximum number = 125
Minimum number = 15
Pdbmat> Matrix trace = 1.681280E+06
Pdbmat> Larger element = 474.223
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
270 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 = 240222214609410939.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 240222214609410939.atom to be opened.
Openam> file on opening on unit 11:
240222214609410939.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2116 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> 270 residues.
Blocpdb> 14 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 15
Blocpdb> 19 atoms in block 3
Block first atom: 29
Blocpdb> 12 atoms in block 4
Block first atom: 48
Blocpdb> 15 atoms in block 5
Block first atom: 60
Blocpdb> 13 atoms in block 6
Block first atom: 75
Blocpdb> 19 atoms in block 7
Block first atom: 88
Blocpdb> 11 atoms in block 8
Block first atom: 107
Blocpdb> 14 atoms in block 9
Block first atom: 118
Blocpdb> 19 atoms in block 10
Block first atom: 132
Blocpdb> 19 atoms in block 11
Block first atom: 151
Blocpdb> 12 atoms in block 12
Block first atom: 170
Blocpdb> 14 atoms in block 13
Block first atom: 182
Blocpdb> 15 atoms in block 14
Block first atom: 196
Blocpdb> 11 atoms in block 15
Block first atom: 211
Blocpdb> 22 atoms in block 16
Block first atom: 222
Blocpdb> 17 atoms in block 17
Block first atom: 244
Blocpdb> 16 atoms in block 18
Block first atom: 261
Blocpdb> 14 atoms in block 19
Block first atom: 277
Blocpdb> 13 atoms in block 20
Block first atom: 291
Blocpdb> 18 atoms in block 21
Block first atom: 304
Blocpdb> 10 atoms in block 22
Block first atom: 322
Blocpdb> 13 atoms in block 23
Block first atom: 332
Blocpdb> 13 atoms in block 24
Block first atom: 345
Blocpdb> 21 atoms in block 25
Block first atom: 358
Blocpdb> 15 atoms in block 26
Block first atom: 379
Blocpdb> 19 atoms in block 27
Block first atom: 394
Blocpdb> 15 atoms in block 28
Block first atom: 413
Blocpdb> 15 atoms in block 29
Block first atom: 428
Blocpdb> 14 atoms in block 30
Block first atom: 443
Blocpdb> 19 atoms in block 31
Block first atom: 457
Blocpdb> 15 atoms in block 32
Block first atom: 476
Blocpdb> 18 atoms in block 33
Block first atom: 491
Blocpdb> 10 atoms in block 34
Block first atom: 509
Blocpdb> 18 atoms in block 35
Block first atom: 519
Blocpdb> 20 atoms in block 36
Block first atom: 537
Blocpdb> 20 atoms in block 37
Block first atom: 557
Blocpdb> 11 atoms in block 38
Block first atom: 577
Blocpdb> 11 atoms in block 39
Block first atom: 588
Blocpdb> 18 atoms in block 40
Block first atom: 599
Blocpdb> 20 atoms in block 41
Block first atom: 617
Blocpdb> 13 atoms in block 42
Block first atom: 637
Blocpdb> 18 atoms in block 43
Block first atom: 650
Blocpdb> 16 atoms in block 44
Block first atom: 668
Blocpdb> 16 atoms in block 45
Block first atom: 684
Blocpdb> 13 atoms in block 46
Block first atom: 700
Blocpdb> 14 atoms in block 47
Block first atom: 713
Blocpdb> 12 atoms in block 48
Block first atom: 727
Blocpdb> 20 atoms in block 49
Block first atom: 739
Blocpdb> 12 atoms in block 50
Block first atom: 759
Blocpdb> 11 atoms in block 51
Block first atom: 771
Blocpdb> 13 atoms in block 52
Block first atom: 782
Blocpdb> 21 atoms in block 53
Block first atom: 795
Blocpdb> 20 atoms in block 54
Block first atom: 816
Blocpdb> 22 atoms in block 55
Block first atom: 836
Blocpdb> 21 atoms in block 56
Block first atom: 858
Blocpdb> 15 atoms in block 57
Block first atom: 879
Blocpdb> 13 atoms in block 58
Block first atom: 894
Blocpdb> 18 atoms in block 59
Block first atom: 907
Blocpdb> 19 atoms in block 60
Block first atom: 925
Blocpdb> 16 atoms in block 61
Block first atom: 944
Blocpdb> 11 atoms in block 62
Block first atom: 960
Blocpdb> 12 atoms in block 63
Block first atom: 971
Blocpdb> 16 atoms in block 64
Block first atom: 983
Blocpdb> 16 atoms in block 65
Block first atom: 999
Blocpdb> 13 atoms in block 66
Block first atom: 1015
Blocpdb> 19 atoms in block 67
Block first atom: 1028
Blocpdb> 12 atoms in block 68
Block first atom: 1047
Blocpdb> 14 atoms in block 69
Block first atom: 1059
Blocpdb> 14 atoms in block 70
Block first atom: 1073
Blocpdb> 19 atoms in block 71
Block first atom: 1087
Blocpdb> 12 atoms in block 72
Block first atom: 1106
Blocpdb> 15 atoms in block 73
Block first atom: 1118
Blocpdb> 13 atoms in block 74
Block first atom: 1133
Blocpdb> 19 atoms in block 75
Block first atom: 1146
Blocpdb> 11 atoms in block 76
Block first atom: 1165
Blocpdb> 14 atoms in block 77
Block first atom: 1176
Blocpdb> 19 atoms in block 78
Block first atom: 1190
Blocpdb> 19 atoms in block 79
Block first atom: 1209
Blocpdb> 12 atoms in block 80
Block first atom: 1228
Blocpdb> 14 atoms in block 81
Block first atom: 1240
Blocpdb> 15 atoms in block 82
Block first atom: 1254
Blocpdb> 11 atoms in block 83
Block first atom: 1269
Blocpdb> 22 atoms in block 84
Block first atom: 1280
Blocpdb> 17 atoms in block 85
Block first atom: 1302
Blocpdb> 16 atoms in block 86
Block first atom: 1319
Blocpdb> 14 atoms in block 87
Block first atom: 1335
Blocpdb> 13 atoms in block 88
Block first atom: 1349
Blocpdb> 18 atoms in block 89
Block first atom: 1362
Blocpdb> 10 atoms in block 90
Block first atom: 1380
Blocpdb> 13 atoms in block 91
Block first atom: 1390
Blocpdb> 13 atoms in block 92
Block first atom: 1403
Blocpdb> 21 atoms in block 93
Block first atom: 1416
Blocpdb> 15 atoms in block 94
Block first atom: 1437
Blocpdb> 19 atoms in block 95
Block first atom: 1452
Blocpdb> 15 atoms in block 96
Block first atom: 1471
Blocpdb> 15 atoms in block 97
Block first atom: 1486
Blocpdb> 14 atoms in block 98
Block first atom: 1501
Blocpdb> 19 atoms in block 99
Block first atom: 1515
Blocpdb> 15 atoms in block 100
Block first atom: 1534
Blocpdb> 18 atoms in block 101
Block first atom: 1549
Blocpdb> 10 atoms in block 102
Block first atom: 1567
Blocpdb> 18 atoms in block 103
Block first atom: 1577
Blocpdb> 20 atoms in block 104
Block first atom: 1595
Blocpdb> 20 atoms in block 105
Block first atom: 1615
Blocpdb> 11 atoms in block 106
Block first atom: 1635
Blocpdb> 11 atoms in block 107
Block first atom: 1646
Blocpdb> 18 atoms in block 108
Block first atom: 1657
Blocpdb> 20 atoms in block 109
Block first atom: 1675
Blocpdb> 13 atoms in block 110
Block first atom: 1695
Blocpdb> 18 atoms in block 111
Block first atom: 1708
Blocpdb> 16 atoms in block 112
Block first atom: 1726
Blocpdb> 16 atoms in block 113
Block first atom: 1742
Blocpdb> 13 atoms in block 114
Block first atom: 1758
Blocpdb> 14 atoms in block 115
Block first atom: 1771
Blocpdb> 12 atoms in block 116
Block first atom: 1785
Blocpdb> 20 atoms in block 117
Block first atom: 1797
Blocpdb> 12 atoms in block 118
Block first atom: 1817
Blocpdb> 11 atoms in block 119
Block first atom: 1829
Blocpdb> 13 atoms in block 120
Block first atom: 1840
Blocpdb> 21 atoms in block 121
Block first atom: 1853
Blocpdb> 20 atoms in block 122
Block first atom: 1874
Blocpdb> 22 atoms in block 123
Block first atom: 1894
Blocpdb> 21 atoms in block 124
Block first atom: 1916
Blocpdb> 15 atoms in block 125
Block first atom: 1937
Blocpdb> 13 atoms in block 126
Block first atom: 1952
Blocpdb> 18 atoms in block 127
Block first atom: 1965
Blocpdb> 19 atoms in block 128
Block first atom: 1983
Blocpdb> 16 atoms in block 129
Block first atom: 2002
Blocpdb> 11 atoms in block 130
Block first atom: 2018
Blocpdb> 12 atoms in block 131
Block first atom: 2029
Blocpdb> 16 atoms in block 132
Block first atom: 2041
Blocpdb> 16 atoms in block 133
Block first atom: 2057
Blocpdb> 13 atoms in block 134
Block first atom: 2073
Blocpdb> 19 atoms in block 135
Block first atom: 2086
Blocpdb> 12 atoms in block 136
Block first atom: 2104
Blocpdb> 136 blocks.
Blocpdb> At most, 22 atoms in each of them.
Blocpdb> At least, 10 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> 769298 matrix lines read.
Prepmat> Matrix order = 6348
Prepmat> Matrix trace = 1681280.0000
Prepmat> Last element read: 6348 6348 209.2369
Prepmat> 9317 lines saved.
Prepmat> 7871 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: 2116
RTB> Total mass = 2116.0000
RTB> Number of atoms found in matrix: 2116
RTB> Number of blocks = 136
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 182503.4695
RTB> 49980 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 = 816
Diagstd> Nb of non-zero elements: 49980
Diagstd> Projected matrix trace = 182503.4695
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 816 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 182503.4695
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 1.7592627 2.2340895 2.5877653 3.9447215
6.9174431 7.3234048 7.8442091 9.0368600 9.1758372
9.9959534 10.4620308 10.8370081 12.2035453 14.0047159
15.0279436 16.2094045 17.3306728 19.1036853 19.9955234
21.4880389 22.0938334 22.9977968 24.2904904 24.7894913
25.4211910 27.0358324 27.3760796 28.0236347 28.5535177
28.9675042 29.6785475 30.0266580 30.6864660 31.3329632
31.8162514 32.2582392 33.1687289 33.6454942 35.5168576
35.8626807 36.7231264 37.1624337 37.5889701 39.0014417
40.1447984 40.4587981 42.1384667 42.3562648 43.6117013
43.9617416 45.2022218 45.5013863 45.9713991 47.3007427
48.3754355 49.1036934 49.9417812 50.6168754 51.3818165
52.2464523 52.8550469 53.7109914 54.9972782 56.1210934
56.5229195 58.0398300 58.3503501 58.6205810 60.0812528
60.6913805 60.9539052 61.3517383 62.6746861 62.9324380
63.1236796 64.0832499 64.7168229 65.1438732 65.7756456
65.9692911 67.1658580 67.4571866 67.9586215 68.4003063
69.2596133 69.4373959 70.3398710 71.6806537 72.1883974
72.4044301 72.6680658 73.8098216 74.8958150 75.5619222
75.7951731 76.6990344 77.1764711 78.0488642 79.3281141
79.7156106
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034335 0.0034336 0.0034336 0.0034338 0.0034340
0.0034358 144.0325435 162.3101088 174.6858472 215.6768100
285.6064945 293.8676640 304.1374229 326.4405180 328.9410918
343.3265512 351.2394412 357.4785430 379.3484287 406.3800987
420.9640980 437.1986487 452.0671935 474.6285495 485.5809813
503.3773516 510.4236845 520.7609326 535.1966932 540.6660351
547.5114762 564.6315650 568.1734137 574.8539389 580.2632815
584.4546518 591.5842474 595.0435871 601.5458264 607.8494310
612.5193110 616.7591611 625.4026172 629.8813302 647.1613129
650.3043437 658.0594105 661.9837880 665.7719503 678.1653724
688.0340332 690.7195828 704.9115797 706.7309446 717.1281897
720.0003784 730.0879343 732.4999417 736.2734518 746.8429062
755.2795474 760.9434095 767.4097173 772.5790844 778.3949455
784.9169055 789.4752358 795.8420177 805.3151672 813.5014703
816.4086042 827.2910883 829.5011899 831.4197552 841.7144251
845.9774527 847.8051449 850.5673667 859.6889885 861.4549258
862.7628446 869.2957261 873.5823977 876.4599356 880.6996832
881.9951335 889.9581071 891.8860938 895.1948203 898.0991875
903.7229503 904.8820910 910.7434656 919.3825548 922.6329922
924.0125076 925.6932153 932.9370876 939.7753636 943.9451927
945.4009943 951.0212663 953.9766362 959.3533003 967.1834245
969.5427624
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2116
Rtb_to_modes> Number of blocs = 136
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: 9.9972E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.759
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.234
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.588
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.945
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.917
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.323
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.844
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.037
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.176
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.996
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.20
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.00
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.03
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.33
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.10
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.00
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.49
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.09
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 24.29
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.79
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.42
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 27.04
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.38
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 28.02
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.55
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.68
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.03
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 30.69
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 31.33
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.82
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 32.26
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 33.65
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.52
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 35.86
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 36.72
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 37.16
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.59
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 39.00
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 40.14
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 40.46
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 42.14
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 42.36
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 43.61
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 43.96
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 45.20
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 45.50
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 45.97
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 47.30
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 48.38
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 49.10
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 49.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 50.62
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 51.38
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 52.25
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 52.86
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 53.71
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 55.00
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 56.52
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.04
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 58.35
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 58.62
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 60.69
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 60.95
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 61.35
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 62.67
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 62.93
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.12
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.08
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.72
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.14
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 65.78
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 65.97
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 67.17
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 67.46
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 67.96
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 68.40
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 69.26
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 69.44
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 70.34
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 71.68
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 72.19
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 72.40
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 72.67
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 73.81
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 74.90
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 75.56
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 75.80
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 76.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 77.18
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 78.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 79.33
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 79.72
Rtb_to_modes> 106 vectors, with 816 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00000 1.00000 1.00001
0.99997 1.00001 1.00000 1.00002 1.00002
0.99996 1.00001 1.00001 1.00003 1.00000
1.00001 0.99998 0.99997 1.00003 1.00001
1.00000 0.99996 1.00002 1.00001 0.99997
1.00000 1.00000 1.00000 0.99998 0.99998
1.00002 1.00001 1.00002 0.99999 1.00002
1.00001 1.00000 0.99999 0.99995 0.99999
1.00003 0.99999 0.99996 1.00003 1.00000
0.99999 0.99998 0.99999 0.99999 1.00003
0.99999 1.00001 0.99997 1.00001 1.00001
0.99998 0.99998 0.99998 1.00003 1.00000
0.99999 1.00002 1.00001 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 1.00003
1.00001 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 1.00003 1.00000 1.00001
0.99998 1.00001 1.00000 0.99997 0.99999
1.00002 1.00000 1.00000 0.99998 1.00003
0.99998 1.00002 0.99997 1.00002 0.99999
0.99999 1.00000 1.00000 0.99998 1.00001
1.00000 0.99999 1.00000 0.99998 0.99998
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 38088 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00000 1.00000 1.00001
0.99997 1.00001 1.00000 1.00002 1.00002
0.99996 1.00001 1.00001 1.00003 1.00000
1.00001 0.99998 0.99997 1.00003 1.00001
1.00000 0.99996 1.00002 1.00001 0.99997
1.00000 1.00000 1.00000 0.99998 0.99998
1.00002 1.00001 1.00002 0.99999 1.00002
1.00001 1.00000 0.99999 0.99995 0.99999
1.00003 0.99999 0.99996 1.00003 1.00000
0.99999 0.99998 0.99999 0.99999 1.00003
0.99999 1.00001 0.99997 1.00001 1.00001
0.99998 0.99998 0.99998 1.00003 1.00000
0.99999 1.00002 1.00001 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 1.00003
1.00001 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 1.00003 1.00000 1.00001
0.99998 1.00001 1.00000 0.99997 0.99999
1.00002 1.00000 1.00000 0.99998 1.00003
0.99998 1.00002 0.99997 1.00002 0.99999
0.99999 1.00000 1.00000 0.99998 1.00001
1.00000 0.99999 1.00000 0.99998 0.99998
1.00004
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> 240222214609410939.eigenfacs
Openam> file on opening on unit 10:
240222214609410939.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240222214609410939.atom
Openam> file on opening on unit 11:
240222214609410939.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 = 270
First residue number = 1
Last residue number = 135
Number of atoms found = 2116
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: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 24.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 27.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 28.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 30.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 31.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 32.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 33.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 35.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 36.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 37.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 39.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 40.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 40.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 42.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 42.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 43.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 43.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 45.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 45.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 45.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 47.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 48.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 49.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 49.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 50.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 51.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 52.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 52.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 53.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 55.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 56.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 58.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 58.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 60.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 60.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 61.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 62.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 62.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 65.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 65.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 67.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 67.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 67.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 68.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 69.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 69.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 70.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 71.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 72.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 72.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 72.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 73.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 74.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 75.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 75.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 76.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 77.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 78.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 79.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 79.72
Bfactors> 106 vectors, 6348 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 : 1.759000
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= 0.474 for 270 C-alpha atoms.
Bfactors> = 0.032 +/- 0.05
Bfactors> = 36.403 +/- 13.48
Bfactors> Shiftng-fct= 36.370
Bfactors> Scaling-fct= 265.331
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240222214609410939 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=0
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=100
240222214609410939.eigenfacs
240222214609410939.atom
making animated gifs
11 models are in 240222214609410939.7.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 240222214609410939.7.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 240222214609410939.7.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 240222214609410939 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=0
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=100
240222214609410939.eigenfacs
240222214609410939.atom
making animated gifs
11 models are in 240222214609410939.8.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 240222214609410939.8.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 240222214609410939.8.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 240222214609410939 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=0
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=100
240222214609410939.eigenfacs
240222214609410939.atom
making animated gifs
11 models are in 240222214609410939.9.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 240222214609410939.9.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 240222214609410939.9.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 240222214609410939 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=0
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=100
240222214609410939.eigenfacs
240222214609410939.atom
making animated gifs
11 models are in 240222214609410939.10.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 240222214609410939.10.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 240222214609410939.10.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 240222214609410939 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=-20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=0
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=20
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=40
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=60
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=80
240222214609410939.eigenfacs
240222214609410939.atom
calculating perturbed structure for DQ=100
240222214609410939.eigenfacs
240222214609410939.atom
making animated gifs
11 models are in 240222214609410939.11.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 240222214609410939.11.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 240222214609410939.11.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
240222214609410939.10.pdb
240222214609410939.11.pdb
240222214609410939.7.pdb
240222214609410939.8.pdb
240222214609410939.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.223s
user 0m9.195s
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: 240222214609410939.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
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
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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
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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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