*** HYDROLASE 05-OCT-21 7PW1 ***
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 = 2402101527332288888.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 2402101527332288888.atom to be opened.
Openam> File opened: 2402101527332288888.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 = 292
First residue number = 5
Last residue number = 296
Number of atoms found = 2417
Mean number per residue = 8.3
Pdbmat> Coordinate statistics:
= 8.988980 +/- 10.981818 From: -16.645000 To: 34.584000
= -7.805916 +/- 8.980882 From: -28.251000 To: 15.530000
= -18.797252 +/- 10.362529 From: -40.632000 To: 6.098000
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 3.7811 % Filled.
Pdbmat> 994137 non-zero elements.
Pdbmat> 108870 atom-atom interactions.
Pdbmat> Number per atom= 90.09 +/- 23.22
Maximum number = 153
Minimum number = 16
Pdbmat> Matrix trace = 2.177400E+06
Pdbmat> Larger element = 593.843
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
292 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 = 2402101527332288888.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 2402101527332288888.atom to be opened.
Openam> file on opening on unit 11:
2402101527332288888.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2417 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> 292 residues.
Blocpdb> 9 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 10
Blocpdb> 16 atoms in block 3
Block first atom: 26
Blocpdb> 18 atoms in block 4
Block first atom: 42
Blocpdb> 29 atoms in block 5
Block first atom: 60
Blocpdb> 26 atoms in block 6
Block first atom: 89
Blocpdb> 13 atoms in block 7
Block first atom: 115
Blocpdb> 13 atoms in block 8
Block first atom: 128
Blocpdb> 38 atoms in block 9
Block first atom: 141
Blocpdb> 17 atoms in block 10
Block first atom: 179
Blocpdb> 16 atoms in block 11
Block first atom: 196
Blocpdb> 13 atoms in block 12
Block first atom: 212
Blocpdb> 13 atoms in block 13
Block first atom: 225
Blocpdb> 15 atoms in block 14
Block first atom: 238
Blocpdb> 15 atoms in block 15
Block first atom: 253
Blocpdb> 20 atoms in block 16
Block first atom: 268
Blocpdb> 14 atoms in block 17
Block first atom: 288
Blocpdb> 15 atoms in block 18
Block first atom: 302
Blocpdb> 13 atoms in block 19
Block first atom: 317
Blocpdb> 18 atoms in block 20
Block first atom: 330
Blocpdb> 22 atoms in block 21
Block first atom: 348
Blocpdb> 19 atoms in block 22
Block first atom: 370
Blocpdb> 16 atoms in block 23
Block first atom: 389
Blocpdb> 17 atoms in block 24
Block first atom: 405
Blocpdb> 17 atoms in block 25
Block first atom: 422
Blocpdb> 12 atoms in block 26
Block first atom: 439
Blocpdb> 15 atoms in block 27
Block first atom: 451
Blocpdb> 16 atoms in block 28
Block first atom: 466
Blocpdb> 11 atoms in block 29
Block first atom: 482
Blocpdb> 16 atoms in block 30
Block first atom: 493
Blocpdb> 12 atoms in block 31
Block first atom: 509
Blocpdb> 12 atoms in block 32
Block first atom: 521
Blocpdb> 14 atoms in block 33
Block first atom: 533
Blocpdb> 17 atoms in block 34
Block first atom: 547
Blocpdb> 20 atoms in block 35
Block first atom: 564
Blocpdb> 13 atoms in block 36
Block first atom: 584
Blocpdb> 11 atoms in block 37
Block first atom: 597
Blocpdb> 19 atoms in block 38
Block first atom: 608
Blocpdb> 18 atoms in block 39
Block first atom: 627
Blocpdb> 17 atoms in block 40
Block first atom: 645
Blocpdb> 19 atoms in block 41
Block first atom: 662
Blocpdb> 30 atoms in block 42
Block first atom: 681
Blocpdb> 20 atoms in block 43
Block first atom: 711
Blocpdb> 16 atoms in block 44
Block first atom: 731
Blocpdb> 22 atoms in block 45
Block first atom: 747
Blocpdb> 14 atoms in block 46
Block first atom: 769
Blocpdb> 16 atoms in block 47
Block first atom: 783
Blocpdb> 12 atoms in block 48
Block first atom: 799
Blocpdb> 16 atoms in block 49
Block first atom: 811
Blocpdb> 14 atoms in block 50
Block first atom: 827
Blocpdb> 15 atoms in block 51
Block first atom: 841
Blocpdb> 18 atoms in block 52
Block first atom: 856
Blocpdb> 22 atoms in block 53
Block first atom: 874
Blocpdb> 10 atoms in block 54
Block first atom: 896
Blocpdb> 13 atoms in block 55
Block first atom: 906
Blocpdb> 15 atoms in block 56
Block first atom: 919
Blocpdb> 22 atoms in block 57
Block first atom: 934
Blocpdb> 13 atoms in block 58
Block first atom: 956
Blocpdb> 19 atoms in block 59
Block first atom: 969
Blocpdb> 19 atoms in block 60
Block first atom: 988
Blocpdb> 18 atoms in block 61
Block first atom: 1007
Blocpdb> 13 atoms in block 62
Block first atom: 1025
Blocpdb> 13 atoms in block 63
Block first atom: 1038
Blocpdb> 20 atoms in block 64
Block first atom: 1051
Blocpdb> 14 atoms in block 65
Block first atom: 1071
Blocpdb> 15 atoms in block 66
Block first atom: 1085
Blocpdb> 14 atoms in block 67
Block first atom: 1100
Blocpdb> 17 atoms in block 68
Block first atom: 1114
Blocpdb> 19 atoms in block 69
Block first atom: 1131
Blocpdb> 22 atoms in block 70
Block first atom: 1150
Blocpdb> 16 atoms in block 71
Block first atom: 1172
Blocpdb> 16 atoms in block 72
Block first atom: 1188
Blocpdb> 19 atoms in block 73
Block first atom: 1204
Blocpdb> 19 atoms in block 74
Block first atom: 1223
Blocpdb> 13 atoms in block 75
Block first atom: 1242
Blocpdb> 22 atoms in block 76
Block first atom: 1255
Blocpdb> 13 atoms in block 77
Block first atom: 1277
Blocpdb> 9 atoms in block 78
Block first atom: 1290
Blocpdb> 18 atoms in block 79
Block first atom: 1299
Blocpdb> 15 atoms in block 80
Block first atom: 1317
Blocpdb> 23 atoms in block 81
Block first atom: 1332
Blocpdb> 16 atoms in block 82
Block first atom: 1355
Blocpdb> 19 atoms in block 83
Block first atom: 1371
Blocpdb> 16 atoms in block 84
Block first atom: 1390
Blocpdb> 18 atoms in block 85
Block first atom: 1406
Blocpdb> 15 atoms in block 86
Block first atom: 1424
Blocpdb> 9 atoms in block 87
Block first atom: 1439
Blocpdb> 16 atoms in block 88
Block first atom: 1448
Blocpdb> 20 atoms in block 89
Block first atom: 1464
Blocpdb> 14 atoms in block 90
Block first atom: 1484
Blocpdb> 17 atoms in block 91
Block first atom: 1498
Blocpdb> 17 atoms in block 92
Block first atom: 1515
Blocpdb> 14 atoms in block 93
Block first atom: 1532
Blocpdb> 23 atoms in block 94
Block first atom: 1546
Blocpdb> 18 atoms in block 95
Block first atom: 1569
Blocpdb> 19 atoms in block 96
Block first atom: 1587
Blocpdb> 13 atoms in block 97
Block first atom: 1606
Blocpdb> 13 atoms in block 98
Block first atom: 1619
Blocpdb> 19 atoms in block 99
Block first atom: 1632
Blocpdb> 18 atoms in block 100
Block first atom: 1651
Blocpdb> 15 atoms in block 101
Block first atom: 1669
Blocpdb> 20 atoms in block 102
Block first atom: 1684
Blocpdb> 18 atoms in block 103
Block first atom: 1704
Blocpdb> 17 atoms in block 104
Block first atom: 1722
Blocpdb> 15 atoms in block 105
Block first atom: 1739
Blocpdb> 12 atoms in block 106
Block first atom: 1754
Blocpdb> 16 atoms in block 107
Block first atom: 1766
Blocpdb> 13 atoms in block 108
Block first atom: 1782
Blocpdb> 14 atoms in block 109
Block first atom: 1795
Blocpdb> 13 atoms in block 110
Block first atom: 1809
Blocpdb> 16 atoms in block 111
Block first atom: 1822
Blocpdb> 20 atoms in block 112
Block first atom: 1838
Blocpdb> 17 atoms in block 113
Block first atom: 1858
Blocpdb> 22 atoms in block 114
Block first atom: 1875
Blocpdb> 14 atoms in block 115
Block first atom: 1897
Blocpdb> 14 atoms in block 116
Block first atom: 1911
Blocpdb> 15 atoms in block 117
Block first atom: 1925
Blocpdb> 17 atoms in block 118
Block first atom: 1940
Blocpdb> 19 atoms in block 119
Block first atom: 1957
Blocpdb> 13 atoms in block 120
Block first atom: 1976
Blocpdb> 25 atoms in block 121
Block first atom: 1989
Blocpdb> 9 atoms in block 122
Block first atom: 2014
Blocpdb> 15 atoms in block 123
Block first atom: 2023
Blocpdb> 11 atoms in block 124
Block first atom: 2038
Blocpdb> 27 atoms in block 125
Block first atom: 2049
Blocpdb> 19 atoms in block 126
Block first atom: 2076
Blocpdb> 17 atoms in block 127
Block first atom: 2095
Blocpdb> 17 atoms in block 128
Block first atom: 2112
Blocpdb> 21 atoms in block 129
Block first atom: 2129
Blocpdb> 17 atoms in block 130
Block first atom: 2150
Blocpdb> 16 atoms in block 131
Block first atom: 2167
Blocpdb> 15 atoms in block 132
Block first atom: 2183
Blocpdb> 16 atoms in block 133
Block first atom: 2198
Blocpdb> 9 atoms in block 134
Block first atom: 2214
Blocpdb> 21 atoms in block 135
Block first atom: 2223
Blocpdb> 17 atoms in block 136
Block first atom: 2244
Blocpdb> 17 atoms in block 137
Block first atom: 2261
Blocpdb> 13 atoms in block 138
Block first atom: 2278
Blocpdb> 17 atoms in block 139
Block first atom: 2291
Blocpdb> 12 atoms in block 140
Block first atom: 2308
Blocpdb> 10 atoms in block 141
Block first atom: 2320
Blocpdb> 13 atoms in block 142
Block first atom: 2330
Blocpdb> 20 atoms in block 143
Block first atom: 2343
Blocpdb> 18 atoms in block 144
Block first atom: 2363
Blocpdb> 19 atoms in block 145
Block first atom: 2381
Blocpdb> 18 atoms in block 146
Block first atom: 2399
Blocpdb> 146 blocks.
Blocpdb> At most, 38 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> 994283 matrix lines read.
Prepmat> Matrix order = 7251
Prepmat> Matrix trace = 2177400.0000
Prepmat> Last element read: 7251 7251 111.9934
Prepmat> 10732 lines saved.
Prepmat> 9005 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: 2417
RTB> Total mass = 2417.0000
RTB> Number of atoms found in matrix: 2417
RTB> Number of blocks = 146
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 224456.4094
RTB> 59935 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 = 876
Diagstd> Nb of non-zero elements: 59935
Diagstd> Projected matrix trace = 224456.4094
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 876 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 224456.4094
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 9.4839399 9.6077946 11.1165368 15.1011675
16.6643633 17.3261868 18.3419456 19.0583480 20.2744503
20.9243654 21.2378536 22.6153043 23.1417112 24.1782817
25.4920069 25.9951813 26.2517226 28.2432231 29.6607850
30.5420639 30.9419541 33.2079085 33.8724854 35.7022772
36.5503343 37.3318375 38.8148575 39.1388524 40.3950655
41.6504770 42.4757802 42.6691489 43.6587471 44.6128968
45.1117523 46.0432192 46.3394049 47.2164271 48.2878364
49.1291254 50.2407745 50.7019729 51.9257635 53.1228624
54.0934978 55.9246556 56.7449185 57.3636046 58.2263765
59.4753327 59.8157600 60.5239926 60.7431934 62.0676309
63.0407094 63.3580357 63.7991294 65.5641408 66.1051904
66.3587770 67.7835584 68.5996633 70.0434237 70.3417577
71.5359709 72.2030434 73.1738931 73.5434086 74.1816562
74.7638998 75.4443871 76.5724962 76.9160444 77.9803865
78.6795578 79.1847883 79.9467128 80.9593997 81.6942945
82.6355789 83.1294508 84.7467817 85.0360555 85.3840216
86.6263185 86.8242017 87.7499277 88.5385622 89.5712365
90.2661038 90.4822676 91.0296097 91.3965679 91.9225481
92.1150929 93.3427366 94.2205263 95.5248890 96.9026419
97.4249808
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034327 0.0034328 0.0034332 0.0034345
0.0034350 334.4180243 336.5945937 362.0595741 421.9884289
443.2917432 452.0086812 465.0696313 474.0650154 488.9560500
496.7311873 500.4383589 516.4122048 522.3877865 533.9591052
548.2735484 553.6581608 556.3834249 577.1017726 591.4071910
600.1288031 604.0447986 625.7718781 632.0025232 648.8484013
656.5094126 663.4908896 676.5412450 679.3589852 690.1753409
700.8180355 707.7273230 709.3364392 717.5148842 725.3130507
729.3569550 736.8483591 739.2145494 746.1769692 754.5954007
761.1404393 769.7034676 773.2282447 782.5042872 791.4728363
798.6708111 812.0764931 818.0102936 822.4575605 828.6195251
837.4593204 839.8526424 844.8100370 846.3384863 855.5154651
862.1956473 864.3629286 867.3665240 879.2825764 882.9031385
884.5949728 894.0410551 899.4070189 908.8222760 910.7556797
918.4542291 922.7265824 928.9094072 931.2518696 935.2840816
938.9473780 943.2107628 950.2364440 952.3657117 958.9323541
963.2216498 966.3093019 970.9471381 977.0772917 981.5018975
987.1401521 990.0855814 999.6705256 1001.3752047 1003.4219183
1010.6952140 1011.8489366 1017.2288387 1021.7896820 1027.7312566
1031.7099737 1032.9445730 1036.0640885 1038.1502768 1041.1332286
1042.2230586 1049.1450717 1054.0665783 1061.3376020 1068.9640233
1071.8411952
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2417
Rtb_to_modes> Number of blocs = 146
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: 9.9891E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9924E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.484
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 9.608
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 11.12
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 15.10
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 16.66
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 17.33
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 20.27
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.92
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.62
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.18
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 25.49
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 26.00
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 26.25
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 28.24
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 30.54
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 30.94
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 33.21
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 33.87
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 35.70
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 36.55
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 37.33
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 38.81
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 39.14
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 40.40
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 41.65
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 42.48
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 42.67
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 44.61
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 45.11
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 46.34
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 47.22
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 48.29
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 49.13
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 50.24
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 50.70
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 51.93
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 53.12
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 54.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 55.92
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 56.74
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 57.36
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 58.23
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 59.48
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 59.82
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 60.52
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 60.74
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 62.07
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 63.04
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 63.36
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 63.80
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 65.56
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 66.11
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 66.36
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 67.78
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 68.60
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 70.04
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 70.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 71.54
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 72.20
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 73.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 73.54
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 74.18
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 74.76
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 75.44
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 76.57
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 76.92
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 77.98
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 78.68
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 79.18
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 79.95
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 80.96
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 81.69
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 82.64
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 83.13
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 84.75
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 85.04
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 85.38
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 86.63
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 86.82
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 87.75
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 88.54
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 89.57
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 90.27
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 90.48
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 91.03
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 91.40
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 91.92
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 92.12
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 93.34
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 94.22
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 95.52
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 96.90
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 97.42
Rtb_to_modes> 106 vectors, with 876 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00000 1.00003 1.00001
1.00000 1.00000 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
0.99998 1.00003 0.99999 1.00001 0.99999
1.00000 1.00000 0.99999 1.00000 0.99998
0.99996 0.99999 1.00000 0.99996 1.00002
1.00000 0.99998 1.00002 1.00000 1.00001
0.99997 1.00000 1.00001 1.00001 1.00002
1.00000 0.99999 1.00001 1.00000 0.99996
1.00003 1.00000 1.00001 1.00000 1.00000
1.00001 0.99998 1.00002 0.99999 1.00000
0.99999 1.00002 0.99998 0.99997 1.00002
0.99999 0.99998 1.00000 0.99999 0.99997
1.00000 1.00001 1.00000 1.00001 1.00001
1.00000 1.00001 1.00001 1.00000 0.99998
1.00000 0.99999 1.00002 1.00002 0.99999
1.00001 1.00000 1.00000 1.00001 1.00001
0.99999 0.99999 1.00000 1.00000 0.99997
0.99998 0.99999 0.99998 1.00001 1.00000
1.00000 1.00001 0.99997 1.00003 0.99999
1.00001 0.99998 1.00000 1.00001 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 43506 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00000 1.00003 1.00001
1.00000 1.00000 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
0.99998 1.00003 0.99999 1.00001 0.99999
1.00000 1.00000 0.99999 1.00000 0.99998
0.99996 0.99999 1.00000 0.99996 1.00002
1.00000 0.99998 1.00002 1.00000 1.00001
0.99997 1.00000 1.00001 1.00001 1.00002
1.00000 0.99999 1.00001 1.00000 0.99996
1.00003 1.00000 1.00001 1.00000 1.00000
1.00001 0.99998 1.00002 0.99999 1.00000
0.99999 1.00002 0.99998 0.99997 1.00002
0.99999 0.99998 1.00000 0.99999 0.99997
1.00000 1.00001 1.00000 1.00001 1.00001
1.00000 1.00001 1.00001 1.00000 0.99998
1.00000 0.99999 1.00002 1.00002 0.99999
1.00001 1.00000 1.00000 1.00001 1.00001
0.99999 0.99999 1.00000 1.00000 0.99997
0.99998 0.99999 0.99998 1.00001 1.00000
1.00000 1.00001 0.99997 1.00003 0.99999
1.00001 0.99998 1.00000 1.00001 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> 2402101527332288888.eigenfacs
Openam> file on opening on unit 10:
2402101527332288888.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402101527332288888.atom
Openam> file on opening on unit 11:
2402101527332288888.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 = 292
First residue number = 5
Last residue number = 296
Number of atoms found = 2417
Mean number per residue = 8.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9891E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9924E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
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: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 9.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 25.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 26.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 26.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 28.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 30.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 30.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 33.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 33.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 35.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 36.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 37.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 38.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 39.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 40.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 41.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 42.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 42.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 44.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 45.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 46.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 47.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 48.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 49.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 50.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 50.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 51.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 53.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 54.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 55.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 56.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 57.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 58.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 59.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 59.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 60.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 60.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 62.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 63.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 63.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 63.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 65.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 66.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 66.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 67.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 68.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 70.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 70.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 71.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 72.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 73.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 73.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 74.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 74.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 75.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 76.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 76.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 77.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 78.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 79.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 79.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 80.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 81.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 82.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 83.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 84.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 85.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 85.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 86.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 86.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 87.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 88.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 89.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 90.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 90.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 91.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 91.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 91.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 92.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 93.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 94.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 95.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 96.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 97.42
Bfactors> 106 vectors, 7251 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 : 9.484000
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= 0.708 for 303 C-alpha atoms.
Bfactors> = 0.013 +/- 0.01
Bfactors> = 18.527 +/- 4.51
Bfactors> Shiftng-fct= 18.514
Bfactors> Scaling-fct= 424.013
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402101527332288888 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=0
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=100
2402101527332288888.eigenfacs
2402101527332288888.atom
making animated gifs
11 models are in 2402101527332288888.7.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 2402101527332288888.7.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 2402101527332288888.7.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 2402101527332288888 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=0
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=100
2402101527332288888.eigenfacs
2402101527332288888.atom
making animated gifs
11 models are in 2402101527332288888.8.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 2402101527332288888.8.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 2402101527332288888.8.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 2402101527332288888 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=0
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=100
2402101527332288888.eigenfacs
2402101527332288888.atom
making animated gifs
11 models are in 2402101527332288888.9.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 2402101527332288888.9.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 2402101527332288888.9.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 2402101527332288888 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=0
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=100
2402101527332288888.eigenfacs
2402101527332288888.atom
making animated gifs
11 models are in 2402101527332288888.10.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 2402101527332288888.10.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 2402101527332288888.10.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 2402101527332288888 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=-20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=0
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=20
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=40
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=60
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=80
2402101527332288888.eigenfacs
2402101527332288888.atom
calculating perturbed structure for DQ=100
2402101527332288888.eigenfacs
2402101527332288888.atom
making animated gifs
11 models are in 2402101527332288888.11.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 2402101527332288888.11.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 2402101527332288888.11.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
2402101527332288888.10.pdb
2402101527332288888.11.pdb
2402101527332288888.7.pdb
2402101527332288888.8.pdb
2402101527332288888.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.395s
user 0m11.343s
sys 0m0.052s
../../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: 2402101527332288888.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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