*** zzz ***
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 = 2404231225392058520.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 2404231225392058520.atom to be opened.
Openam> File opened: 2404231225392058520.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 = 331
First residue number = 339
Last residue number = 669
Number of atoms found = 2680
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -43.080801 +/- 10.145426 From: -69.900000 To: -18.213000
= 30.423972 +/- 11.050666 From: 4.192000 To: 59.034000
= -15.013347 +/- 14.059136 From: -53.019000 To: 17.244000
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 3.0066 % Filled.
Pdbmat> 971873 non-zero elements.
Pdbmat> 106212 atom-atom interactions.
Pdbmat> Number per atom= 79.26 +/- 23.62
Maximum number = 129
Minimum number = 12
Pdbmat> Matrix trace = 2.124240E+06
Pdbmat> Larger element = 485.911
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
331 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 = 2404231225392058520.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 2404231225392058520.atom to be opened.
Openam> file on opening on unit 11:
2404231225392058520.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2680 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> 331 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 19 atoms in block 2
Block first atom: 16
Blocpdb> 19 atoms in block 3
Block first atom: 35
Blocpdb> 16 atoms in block 4
Block first atom: 54
Blocpdb> 15 atoms in block 5
Block first atom: 70
Blocpdb> 13 atoms in block 6
Block first atom: 85
Blocpdb> 10 atoms in block 7
Block first atom: 98
Blocpdb> 15 atoms in block 8
Block first atom: 108
Blocpdb> 16 atoms in block 9
Block first atom: 123
Blocpdb> 16 atoms in block 10
Block first atom: 139
Blocpdb> 15 atoms in block 11
Block first atom: 155
Blocpdb> 20 atoms in block 12
Block first atom: 170
Blocpdb> 11 atoms in block 13
Block first atom: 190
Blocpdb> 17 atoms in block 14
Block first atom: 201
Blocpdb> 20 atoms in block 15
Block first atom: 218
Blocpdb> 12 atoms in block 16
Block first atom: 238
Blocpdb> 17 atoms in block 17
Block first atom: 250
Blocpdb> 17 atoms in block 18
Block first atom: 267
Blocpdb> 17 atoms in block 19
Block first atom: 284
Blocpdb> 14 atoms in block 20
Block first atom: 301
Blocpdb> 17 atoms in block 21
Block first atom: 315
Blocpdb> 16 atoms in block 22
Block first atom: 332
Blocpdb> 15 atoms in block 23
Block first atom: 348
Blocpdb> 15 atoms in block 24
Block first atom: 363
Blocpdb> 15 atoms in block 25
Block first atom: 378
Blocpdb> 16 atoms in block 26
Block first atom: 393
Blocpdb> 20 atoms in block 27
Block first atom: 409
Blocpdb> 15 atoms in block 28
Block first atom: 429
Blocpdb> 13 atoms in block 29
Block first atom: 444
Blocpdb> 11 atoms in block 30
Block first atom: 457
Blocpdb> 16 atoms in block 31
Block first atom: 468
Blocpdb> 18 atoms in block 32
Block first atom: 484
Blocpdb> 15 atoms in block 33
Block first atom: 502
Blocpdb> 17 atoms in block 34
Block first atom: 517
Blocpdb> 16 atoms in block 35
Block first atom: 534
Blocpdb> 17 atoms in block 36
Block first atom: 550
Blocpdb> 16 atoms in block 37
Block first atom: 567
Blocpdb> 16 atoms in block 38
Block first atom: 583
Blocpdb> 19 atoms in block 39
Block first atom: 599
Blocpdb> 23 atoms in block 40
Block first atom: 618
Blocpdb> 15 atoms in block 41
Block first atom: 641
Blocpdb> 21 atoms in block 42
Block first atom: 656
Blocpdb> 15 atoms in block 43
Block first atom: 677
Blocpdb> 8 atoms in block 44
Block first atom: 692
Blocpdb> 16 atoms in block 45
Block first atom: 700
Blocpdb> 20 atoms in block 46
Block first atom: 716
Blocpdb> 18 atoms in block 47
Block first atom: 736
Blocpdb> 18 atoms in block 48
Block first atom: 754
Blocpdb> 11 atoms in block 49
Block first atom: 772
Blocpdb> 22 atoms in block 50
Block first atom: 783
Blocpdb> 18 atoms in block 51
Block first atom: 805
Blocpdb> 17 atoms in block 52
Block first atom: 823
Blocpdb> 12 atoms in block 53
Block first atom: 840
Blocpdb> 23 atoms in block 54
Block first atom: 852
Blocpdb> 10 atoms in block 55
Block first atom: 875
Blocpdb> 17 atoms in block 56
Block first atom: 885
Blocpdb> 13 atoms in block 57
Block first atom: 902
Blocpdb> 12 atoms in block 58
Block first atom: 915
Blocpdb> 22 atoms in block 59
Block first atom: 927
Blocpdb> 17 atoms in block 60
Block first atom: 949
Blocpdb> 15 atoms in block 61
Block first atom: 966
Blocpdb> 12 atoms in block 62
Block first atom: 981
Blocpdb> 20 atoms in block 63
Block first atom: 993
Blocpdb> 19 atoms in block 64
Block first atom: 1013
Blocpdb> 17 atoms in block 65
Block first atom: 1032
Blocpdb> 16 atoms in block 66
Block first atom: 1049
Blocpdb> 15 atoms in block 67
Block first atom: 1065
Blocpdb> 16 atoms in block 68
Block first atom: 1080
Blocpdb> 14 atoms in block 69
Block first atom: 1096
Blocpdb> 13 atoms in block 70
Block first atom: 1110
Blocpdb> 18 atoms in block 71
Block first atom: 1123
Blocpdb> 17 atoms in block 72
Block first atom: 1141
Blocpdb> 13 atoms in block 73
Block first atom: 1158
Blocpdb> 15 atoms in block 74
Block first atom: 1171
Blocpdb> 14 atoms in block 75
Block first atom: 1186
Blocpdb> 18 atoms in block 76
Block first atom: 1200
Blocpdb> 16 atoms in block 77
Block first atom: 1218
Blocpdb> 22 atoms in block 78
Block first atom: 1234
Blocpdb> 11 atoms in block 79
Block first atom: 1256
Blocpdb> 14 atoms in block 80
Block first atom: 1267
Blocpdb> 18 atoms in block 81
Block first atom: 1281
Blocpdb> 17 atoms in block 82
Block first atom: 1299
Blocpdb> 11 atoms in block 83
Block first atom: 1316
Blocpdb> 15 atoms in block 84
Block first atom: 1327
Blocpdb> 20 atoms in block 85
Block first atom: 1342
Blocpdb> 12 atoms in block 86
Block first atom: 1362
Blocpdb> 17 atoms in block 87
Block first atom: 1374
Blocpdb> 13 atoms in block 88
Block first atom: 1391
Blocpdb> 21 atoms in block 89
Block first atom: 1404
Blocpdb> 19 atoms in block 90
Block first atom: 1425
Blocpdb> 13 atoms in block 91
Block first atom: 1444
Blocpdb> 13 atoms in block 92
Block first atom: 1457
Blocpdb> 22 atoms in block 93
Block first atom: 1470
Blocpdb> 19 atoms in block 94
Block first atom: 1492
Blocpdb> 15 atoms in block 95
Block first atom: 1511
Blocpdb> 15 atoms in block 96
Block first atom: 1526
Blocpdb> 20 atoms in block 97
Block first atom: 1541
Blocpdb> 17 atoms in block 98
Block first atom: 1561
Blocpdb> 13 atoms in block 99
Block first atom: 1578
Blocpdb> 13 atoms in block 100
Block first atom: 1591
Blocpdb> 12 atoms in block 101
Block first atom: 1604
Blocpdb> 20 atoms in block 102
Block first atom: 1616
Blocpdb> 13 atoms in block 103
Block first atom: 1636
Blocpdb> 17 atoms in block 104
Block first atom: 1649
Blocpdb> 17 atoms in block 105
Block first atom: 1666
Blocpdb> 19 atoms in block 106
Block first atom: 1683
Blocpdb> 15 atoms in block 107
Block first atom: 1702
Blocpdb> 16 atoms in block 108
Block first atom: 1717
Blocpdb> 19 atoms in block 109
Block first atom: 1733
Blocpdb> 15 atoms in block 110
Block first atom: 1752
Blocpdb> 17 atoms in block 111
Block first atom: 1767
Blocpdb> 16 atoms in block 112
Block first atom: 1784
Blocpdb> 14 atoms in block 113
Block first atom: 1800
Blocpdb> 15 atoms in block 114
Block first atom: 1814
Blocpdb> 14 atoms in block 115
Block first atom: 1829
Blocpdb> 12 atoms in block 116
Block first atom: 1843
Blocpdb> 14 atoms in block 117
Block first atom: 1855
Blocpdb> 13 atoms in block 118
Block first atom: 1869
Blocpdb> 16 atoms in block 119
Block first atom: 1882
Blocpdb> 16 atoms in block 120
Block first atom: 1898
Blocpdb> 17 atoms in block 121
Block first atom: 1914
Blocpdb> 13 atoms in block 122
Block first atom: 1931
Blocpdb> 19 atoms in block 123
Block first atom: 1944
Blocpdb> 10 atoms in block 124
Block first atom: 1963
Blocpdb> 11 atoms in block 125
Block first atom: 1973
Blocpdb> 13 atoms in block 126
Block first atom: 1984
Blocpdb> 20 atoms in block 127
Block first atom: 1997
Blocpdb> 16 atoms in block 128
Block first atom: 2017
Blocpdb> 18 atoms in block 129
Block first atom: 2033
Blocpdb> 15 atoms in block 130
Block first atom: 2051
Blocpdb> 22 atoms in block 131
Block first atom: 2066
Blocpdb> 23 atoms in block 132
Block first atom: 2088
Blocpdb> 16 atoms in block 133
Block first atom: 2111
Blocpdb> 23 atoms in block 134
Block first atom: 2127
Blocpdb> 17 atoms in block 135
Block first atom: 2150
Blocpdb> 20 atoms in block 136
Block first atom: 2167
Blocpdb> 18 atoms in block 137
Block first atom: 2187
Blocpdb> 17 atoms in block 138
Block first atom: 2205
Blocpdb> 14 atoms in block 139
Block first atom: 2222
Blocpdb> 21 atoms in block 140
Block first atom: 2236
Blocpdb> 16 atoms in block 141
Block first atom: 2257
Blocpdb> 11 atoms in block 142
Block first atom: 2273
Blocpdb> 15 atoms in block 143
Block first atom: 2284
Blocpdb> 13 atoms in block 144
Block first atom: 2299
Blocpdb> 17 atoms in block 145
Block first atom: 2312
Blocpdb> 19 atoms in block 146
Block first atom: 2329
Blocpdb> 22 atoms in block 147
Block first atom: 2348
Blocpdb> 18 atoms in block 148
Block first atom: 2370
Blocpdb> 21 atoms in block 149
Block first atom: 2388
Blocpdb> 14 atoms in block 150
Block first atom: 2409
Blocpdb> 15 atoms in block 151
Block first atom: 2423
Blocpdb> 16 atoms in block 152
Block first atom: 2438
Blocpdb> 15 atoms in block 153
Block first atom: 2454
Blocpdb> 18 atoms in block 154
Block first atom: 2469
Blocpdb> 15 atoms in block 155
Block first atom: 2487
Blocpdb> 19 atoms in block 156
Block first atom: 2502
Blocpdb> 16 atoms in block 157
Block first atom: 2521
Blocpdb> 15 atoms in block 158
Block first atom: 2537
Blocpdb> 20 atoms in block 159
Block first atom: 2552
Blocpdb> 13 atoms in block 160
Block first atom: 2572
Blocpdb> 20 atoms in block 161
Block first atom: 2585
Blocpdb> 18 atoms in block 162
Block first atom: 2605
Blocpdb> 14 atoms in block 163
Block first atom: 2623
Blocpdb> 20 atoms in block 164
Block first atom: 2637
Blocpdb> 17 atoms in block 165
Block first atom: 2657
Blocpdb> 7 atoms in block 166
Block first atom: 2673
Blocpdb> 166 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 7 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> 972039 matrix lines read.
Prepmat> Matrix order = 8040
Prepmat> Matrix trace = 2124240.0000
Prepmat> Last element read: 8040 8040 121.6416
Prepmat> 13862 lines saved.
Prepmat> 12123 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: 2680
RTB> Total mass = 2680.0000
RTB> Number of atoms found in matrix: 2680
RTB> Number of blocks = 166
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 219155.0792
RTB> 60078 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 = 996
Diagstd> Nb of non-zero elements: 60078
Diagstd> Projected matrix trace = 219155.0792
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 996 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 219155.0792
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 1.0477821 1.3035685 3.1223277 3.7555880
4.6035420 5.5470383 6.3772967 6.8475225 7.0442151
7.9732704 8.5098162 9.7906336 10.2809783 10.7928742
10.9813162 11.6999318 12.4999606 12.5452921 12.9244520
13.9806114 14.1274302 14.4954208 14.7330079 15.7852495
16.1732212 16.8604333 17.8559118 18.0886564 19.1518586
19.3111773 19.6305946 20.1796820 21.3092577 21.8910664
22.6909624 22.7913949 23.3371397 23.5997990 23.9392928
24.3674770 25.0520335 25.3084402 25.7877595 25.8448329
26.5231162 26.8463111 27.7996036 28.3570399 29.0427831
29.8999896 30.0024934 30.9166523 31.3548227 31.6632577
32.7226619 33.2210338 34.3597686 34.6578000 35.5731791
35.8320962 36.2987207 36.5854424 37.5989631 38.2450864
38.2956529 39.5784160 39.9918191 40.6761348 40.7748270
41.5550479 42.0417020 42.4992346 43.2457767 44.1927126
44.7537925 44.9296109 46.0650346 46.4679914 47.5911774
48.1672929 48.7245795 49.1568547 49.3791509 49.6889611
50.1011850 50.9561949 51.5839420 52.2325249 52.3529553
52.5875112 53.2311032 53.8751671 54.0272287 54.6432363
55.5032213 55.9381677 56.9687017 57.1883045 57.5793408
58.2695616
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034332 0.0034335 0.0034339 0.0034343
0.0034358 111.1554501 123.9830211 191.8821251 210.4428871
232.9921736 255.7560178 274.2291340 284.1593924 288.2116858
306.6292119 316.7782618 339.7822439 348.1869596 356.7498813
359.8508045 371.4385243 383.9278367 384.6233704 390.3923956
406.0302239 408.1566390 413.4382889 416.8127464 431.4405945
436.7104087 445.8919646 458.8664399 461.8473276 475.2266020
477.1991440 481.1295238 487.8119548 501.2789196 508.0760683
517.2752961 518.4187889 524.5888950 527.5327576 531.3136071
536.0441525 543.5215557 546.2959368 551.4448511 552.0547420
559.2520111 562.6490497 572.5515326 578.2634298 585.2135807
593.7871551 594.8041015 603.7977791 608.0614281 611.0448356
621.1830440 625.8955328 636.5322255 639.2868570 647.6742333
650.0269873 654.2457945 656.8246393 665.8604414 671.5573451
672.0011545 683.1632325 686.7218408 692.5723026 693.4119854
700.0147224 704.1017518 707.9226940 714.1133155 721.8893090
726.4574838 727.8830547 737.0228985 740.2394565 749.1322694
753.6529433 758.0002173 761.3552094 763.0747606 765.4648253
768.6334475 775.1643218 779.9244655 784.8122807 785.7165147
787.4746623 792.2787609 797.0573947 798.1814416 802.7188968
809.0109037 812.1745912 819.6216874 821.1999057 824.0026808
828.9267517
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2680
Rtb_to_modes> Number of blocs = 166
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: 9.9947E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9957E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.048
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.304
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.122
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.756
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.604
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.547
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.377
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.848
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.044
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.973
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.510
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.791
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.28
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 10.98
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.70
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 12.50
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.55
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.98
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.13
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 14.73
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.86
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 17.86
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 19.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.31
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 19.63
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 20.18
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 21.31
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.89
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.69
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.79
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.60
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.94
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.37
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 25.05
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.31
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.79
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.52
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 26.85
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 27.80
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 29.04
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 29.90
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.35
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.66
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.72
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 33.22
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 34.36
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.66
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.57
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 35.83
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.30
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 36.59
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 37.60
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.25
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 39.58
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.99
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 40.68
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 40.77
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 41.56
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 42.04
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 42.50
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 43.25
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 44.19
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 44.75
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 44.93
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 46.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 46.47
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 47.59
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 48.17
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 48.72
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 49.16
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 49.38
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 49.69
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 50.10
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 50.96
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 51.58
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 52.23
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 52.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 52.59
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 53.23
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 53.88
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 54.03
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 54.64
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 55.50
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 55.94
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 56.97
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 57.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 57.58
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 58.27
Rtb_to_modes> 106 vectors, with 996 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
1.00003 1.00000 0.99999 1.00000 0.99999
1.00000 0.99998 1.00001 1.00002 1.00003
1.00000 1.00000 1.00002 0.99999 1.00000
0.99999 1.00002 1.00001 0.99997 0.99999
1.00001 1.00000 1.00003 0.99998 0.99996
1.00000 1.00001 1.00000 0.99999 1.00000
1.00003 0.99998 0.99998 1.00001 1.00002
1.00001 1.00005 0.99997 1.00002 0.99999
1.00002 1.00000 1.00001 0.99999 1.00001
0.99999 1.00000 1.00002 1.00002 0.99999
1.00002 1.00001 1.00000 1.00001 1.00001
1.00000 0.99999 1.00000 0.99997 0.99999
0.99999 0.99998 0.99999 1.00000 1.00000
1.00000 0.99998 0.99998 1.00000 0.99998
0.99998 0.99999 0.99998 0.99999 1.00001
0.99999 1.00000 0.99998 1.00000 0.99999
0.99998 0.99999 1.00001 1.00000 1.00001
1.00000 1.00002 0.99998 1.00001 1.00001
1.00000 0.99998 0.99999 1.00003 0.99996
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 48240 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
1.00003 1.00000 0.99999 1.00000 0.99999
1.00000 0.99998 1.00001 1.00002 1.00003
1.00000 1.00000 1.00002 0.99999 1.00000
0.99999 1.00002 1.00001 0.99997 0.99999
1.00001 1.00000 1.00003 0.99998 0.99996
1.00000 1.00001 1.00000 0.99999 1.00000
1.00003 0.99998 0.99998 1.00001 1.00002
1.00001 1.00005 0.99997 1.00002 0.99999
1.00002 1.00000 1.00001 0.99999 1.00001
0.99999 1.00000 1.00002 1.00002 0.99999
1.00002 1.00001 1.00000 1.00001 1.00001
1.00000 0.99999 1.00000 0.99997 0.99999
0.99999 0.99998 0.99999 1.00000 1.00000
1.00000 0.99998 0.99998 1.00000 0.99998
0.99998 0.99999 0.99998 0.99999 1.00001
0.99999 1.00000 0.99998 1.00000 0.99999
0.99998 0.99999 1.00001 1.00000 1.00001
1.00000 1.00002 0.99998 1.00001 1.00001
1.00000 0.99998 0.99999 1.00003 0.99996
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> 2404231225392058520.eigenfacs
Openam> file on opening on unit 10:
2404231225392058520.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404231225392058520.atom
Openam> file on opening on unit 11:
2404231225392058520.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 = 331
First residue number = 339
Last residue number = 669
Number of atoms found = 2680
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 12.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 17.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 20.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 21.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 25.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 26.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 27.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 28.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 29.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 29.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 33.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 34.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 35.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 36.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 37.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 39.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 40.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 40.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 41.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 42.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 42.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 43.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 44.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 44.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 44.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 46.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 46.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 47.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 48.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 48.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 49.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 49.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 49.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 50.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 50.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 51.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 52.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 52.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 52.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 53.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 53.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 54.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 54.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 55.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 55.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 56.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 57.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 57.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 58.27
Bfactors> 106 vectors, 8040 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 : 1.048000
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= 0.461 for 331 C-alpha atoms.
Bfactors> = 0.035 +/- 0.04
Bfactors> = 107.738 +/- 31.69
Bfactors> Shiftng-fct= 107.704
Bfactors> Scaling-fct= 802.919
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404231225392058520 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=0
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=100
2404231225392058520.eigenfacs
2404231225392058520.atom
making animated gifs
11 models are in 2404231225392058520.7.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 2404231225392058520.7.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 2404231225392058520.7.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 2404231225392058520 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=0
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=100
2404231225392058520.eigenfacs
2404231225392058520.atom
making animated gifs
11 models are in 2404231225392058520.8.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 2404231225392058520.8.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 2404231225392058520.8.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 2404231225392058520 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=0
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=100
2404231225392058520.eigenfacs
2404231225392058520.atom
making animated gifs
11 models are in 2404231225392058520.9.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 2404231225392058520.9.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 2404231225392058520.9.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 2404231225392058520 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=0
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=100
2404231225392058520.eigenfacs
2404231225392058520.atom
making animated gifs
11 models are in 2404231225392058520.10.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 2404231225392058520.10.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 2404231225392058520.10.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 2404231225392058520 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=-20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=0
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=20
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=40
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=60
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=80
2404231225392058520.eigenfacs
2404231225392058520.atom
calculating perturbed structure for DQ=100
2404231225392058520.eigenfacs
2404231225392058520.atom
making animated gifs
11 models are in 2404231225392058520.11.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 2404231225392058520.11.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 2404231225392058520.11.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
2404231225392058520.10.pdb
2404231225392058520.11.pdb
2404231225392058520.7.pdb
2404231225392058520.8.pdb
2404231225392058520.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.871s
user 0m15.835s
sys 0m0.036s
../../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: 2404231225392058520.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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