*** Omegafold ***
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 = 2401061715364136637.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 2401061715364136637.atom to be opened.
Openam> File opened: 2401061715364136637.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 = 314
First residue number = 0
Last residue number = 313
Number of atoms found = 3084
Mean number per residue = 9.8
Pdbmat> Coordinate statistics:
= 0.953109 +/- 13.971661 From: -28.685000 To: 39.455000
= -7.042554 +/- 18.454135 From: -67.735000 To: 23.442000
= 1.433241 +/- 10.694008 From: -22.182000 To: 31.985000
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 2.8878 % Filled.
Pdbmat> 1236094 non-zero elements.
Pdbmat> 135310 atom-atom interactions.
Pdbmat> Number per atom= 87.75 +/- 31.56
Maximum number = 150
Minimum number = 10
Pdbmat> Matrix trace = 2.706200E+06
Pdbmat> Larger element = 564.812
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
314 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 = 2401061715364136637.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 2401061715364136637.atom to be opened.
Openam> file on opening on unit 11:
2401061715364136637.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3084 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> 314 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 17
Blocpdb> 20 atoms in block 3
Block first atom: 33
Blocpdb> 24 atoms in block 4
Block first atom: 53
Blocpdb> 26 atoms in block 5
Block first atom: 77
Blocpdb> 18 atoms in block 6
Block first atom: 103
Blocpdb> 16 atoms in block 7
Block first atom: 121
Blocpdb> 18 atoms in block 8
Block first atom: 137
Blocpdb> 15 atoms in block 9
Block first atom: 155
Blocpdb> 13 atoms in block 10
Block first atom: 170
Blocpdb> 18 atoms in block 11
Block first atom: 183
Blocpdb> 26 atoms in block 12
Block first atom: 201
Blocpdb> 25 atoms in block 13
Block first atom: 227
Blocpdb> 14 atoms in block 14
Block first atom: 252
Blocpdb> 14 atoms in block 15
Block first atom: 266
Blocpdb> 16 atoms in block 16
Block first atom: 280
Blocpdb> 21 atoms in block 17
Block first atom: 296
Blocpdb> 18 atoms in block 18
Block first atom: 317
Blocpdb> 17 atoms in block 19
Block first atom: 335
Blocpdb> 14 atoms in block 20
Block first atom: 352
Blocpdb> 29 atoms in block 21
Block first atom: 366
Blocpdb> 16 atoms in block 22
Block first atom: 395
Blocpdb> 15 atoms in block 23
Block first atom: 411
Blocpdb> 18 atoms in block 24
Block first atom: 426
Blocpdb> 14 atoms in block 25
Block first atom: 444
Blocpdb> 22 atoms in block 26
Block first atom: 458
Blocpdb> 18 atoms in block 27
Block first atom: 480
Blocpdb> 21 atoms in block 28
Block first atom: 498
Blocpdb> 18 atoms in block 29
Block first atom: 519
Blocpdb> 12 atoms in block 30
Block first atom: 537
Blocpdb> 20 atoms in block 31
Block first atom: 549
Blocpdb> 18 atoms in block 32
Block first atom: 569
Blocpdb> 26 atoms in block 33
Block first atom: 587
Blocpdb> 17 atoms in block 34
Block first atom: 613
Blocpdb> 15 atoms in block 35
Block first atom: 630
Blocpdb> 25 atoms in block 36
Block first atom: 645
Blocpdb> 17 atoms in block 37
Block first atom: 670
Blocpdb> 23 atoms in block 38
Block first atom: 687
Blocpdb> 18 atoms in block 39
Block first atom: 710
Blocpdb> 17 atoms in block 40
Block first atom: 728
Blocpdb> 23 atoms in block 41
Block first atom: 745
Blocpdb> 21 atoms in block 42
Block first atom: 768
Blocpdb> 22 atoms in block 43
Block first atom: 789
Blocpdb> 19 atoms in block 44
Block first atom: 811
Blocpdb> 18 atoms in block 45
Block first atom: 830
Blocpdb> 24 atoms in block 46
Block first atom: 848
Blocpdb> 26 atoms in block 47
Block first atom: 872
Blocpdb> 26 atoms in block 48
Block first atom: 898
Blocpdb> 28 atoms in block 49
Block first atom: 924
Blocpdb> 19 atoms in block 50
Block first atom: 952
Blocpdb> 20 atoms in block 51
Block first atom: 971
Blocpdb> 22 atoms in block 52
Block first atom: 991
Blocpdb> 20 atoms in block 53
Block first atom: 1013
Blocpdb> 17 atoms in block 54
Block first atom: 1033
Blocpdb> 21 atoms in block 55
Block first atom: 1050
Blocpdb> 16 atoms in block 56
Block first atom: 1071
Blocpdb> 23 atoms in block 57
Block first atom: 1087
Blocpdb> 18 atoms in block 58
Block first atom: 1110
Blocpdb> 18 atoms in block 59
Block first atom: 1128
Blocpdb> 17 atoms in block 60
Block first atom: 1146
Blocpdb> 14 atoms in block 61
Block first atom: 1163
Blocpdb> 18 atoms in block 62
Block first atom: 1177
Blocpdb> 26 atoms in block 63
Block first atom: 1195
Blocpdb> 18 atoms in block 64
Block first atom: 1221
Blocpdb> 19 atoms in block 65
Block first atom: 1239
Blocpdb> 19 atoms in block 66
Block first atom: 1258
Blocpdb> 19 atoms in block 67
Block first atom: 1277
Blocpdb> 21 atoms in block 68
Block first atom: 1296
Blocpdb> 26 atoms in block 69
Block first atom: 1317
Blocpdb> 15 atoms in block 70
Block first atom: 1343
Blocpdb> 14 atoms in block 71
Block first atom: 1358
Blocpdb> 14 atoms in block 72
Block first atom: 1372
Blocpdb> 26 atoms in block 73
Block first atom: 1386
Blocpdb> 19 atoms in block 74
Block first atom: 1412
Blocpdb> 26 atoms in block 75
Block first atom: 1431
Blocpdb> 27 atoms in block 76
Block first atom: 1457
Blocpdb> 20 atoms in block 77
Block first atom: 1484
Blocpdb> 23 atoms in block 78
Block first atom: 1504
Blocpdb> 27 atoms in block 79
Block first atom: 1527
Blocpdb> 20 atoms in block 80
Block first atom: 1554
Blocpdb> 28 atoms in block 81
Block first atom: 1574
Blocpdb> 18 atoms in block 82
Block first atom: 1602
Blocpdb> 14 atoms in block 83
Block first atom: 1620
Blocpdb> 21 atoms in block 84
Block first atom: 1634
Blocpdb> 18 atoms in block 85
Block first atom: 1655
Blocpdb> 30 atoms in block 86
Block first atom: 1673
Blocpdb> 17 atoms in block 87
Block first atom: 1703
Blocpdb> 18 atoms in block 88
Block first atom: 1720
Blocpdb> 21 atoms in block 89
Block first atom: 1738
Blocpdb> 14 atoms in block 90
Block first atom: 1759
Blocpdb> 16 atoms in block 91
Block first atom: 1773
Blocpdb> 24 atoms in block 92
Block first atom: 1789
Blocpdb> 19 atoms in block 93
Block first atom: 1813
Blocpdb> 31 atoms in block 94
Block first atom: 1832
Blocpdb> 22 atoms in block 95
Block first atom: 1863
Blocpdb> 17 atoms in block 96
Block first atom: 1885
Blocpdb> 23 atoms in block 97
Block first atom: 1902
Blocpdb> 17 atoms in block 98
Block first atom: 1925
Blocpdb> 23 atoms in block 99
Block first atom: 1942
Blocpdb> 11 atoms in block 100
Block first atom: 1965
Blocpdb> 18 atoms in block 101
Block first atom: 1976
Blocpdb> 29 atoms in block 102
Block first atom: 1994
Blocpdb> 17 atoms in block 103
Block first atom: 2023
Blocpdb> 21 atoms in block 104
Block first atom: 2040
Blocpdb> 17 atoms in block 105
Block first atom: 2061
Blocpdb> 17 atoms in block 106
Block first atom: 2078
Blocpdb> 22 atoms in block 107
Block first atom: 2095
Blocpdb> 20 atoms in block 108
Block first atom: 2117
Blocpdb> 18 atoms in block 109
Block first atom: 2137
Blocpdb> 22 atoms in block 110
Block first atom: 2155
Blocpdb> 16 atoms in block 111
Block first atom: 2177
Blocpdb> 21 atoms in block 112
Block first atom: 2193
Blocpdb> 21 atoms in block 113
Block first atom: 2214
Blocpdb> 18 atoms in block 114
Block first atom: 2235
Blocpdb> 21 atoms in block 115
Block first atom: 2253
Blocpdb> 16 atoms in block 116
Block first atom: 2274
Blocpdb> 11 atoms in block 117
Block first atom: 2290
Blocpdb> 15 atoms in block 118
Block first atom: 2301
Blocpdb> 26 atoms in block 119
Block first atom: 2316
Blocpdb> 20 atoms in block 120
Block first atom: 2342
Blocpdb> 22 atoms in block 121
Block first atom: 2362
Blocpdb> 23 atoms in block 122
Block first atom: 2384
Blocpdb> 17 atoms in block 123
Block first atom: 2407
Blocpdb> 16 atoms in block 124
Block first atom: 2424
Blocpdb> 21 atoms in block 125
Block first atom: 2440
Blocpdb> 19 atoms in block 126
Block first atom: 2461
Blocpdb> 25 atoms in block 127
Block first atom: 2480
Blocpdb> 17 atoms in block 128
Block first atom: 2505
Blocpdb> 20 atoms in block 129
Block first atom: 2522
Blocpdb> 22 atoms in block 130
Block first atom: 2542
Blocpdb> 18 atoms in block 131
Block first atom: 2564
Blocpdb> 22 atoms in block 132
Block first atom: 2582
Blocpdb> 27 atoms in block 133
Block first atom: 2604
Blocpdb> 21 atoms in block 134
Block first atom: 2631
Blocpdb> 26 atoms in block 135
Block first atom: 2652
Blocpdb> 17 atoms in block 136
Block first atom: 2678
Blocpdb> 16 atoms in block 137
Block first atom: 2695
Blocpdb> 17 atoms in block 138
Block first atom: 2711
Blocpdb> 23 atoms in block 139
Block first atom: 2728
Blocpdb> 18 atoms in block 140
Block first atom: 2751
Blocpdb> 21 atoms in block 141
Block first atom: 2769
Blocpdb> 22 atoms in block 142
Block first atom: 2790
Blocpdb> 14 atoms in block 143
Block first atom: 2812
Blocpdb> 21 atoms in block 144
Block first atom: 2826
Blocpdb> 20 atoms in block 145
Block first atom: 2847
Blocpdb> 16 atoms in block 146
Block first atom: 2867
Blocpdb> 16 atoms in block 147
Block first atom: 2883
Blocpdb> 15 atoms in block 148
Block first atom: 2899
Blocpdb> 15 atoms in block 149
Block first atom: 2914
Blocpdb> 17 atoms in block 150
Block first atom: 2929
Blocpdb> 20 atoms in block 151
Block first atom: 2946
Blocpdb> 18 atoms in block 152
Block first atom: 2966
Blocpdb> 16 atoms in block 153
Block first atom: 2984
Blocpdb> 18 atoms in block 154
Block first atom: 3000
Blocpdb> 20 atoms in block 155
Block first atom: 3018
Blocpdb> 21 atoms in block 156
Block first atom: 3038
Blocpdb> 26 atoms in block 157
Block first atom: 3058
Blocpdb> 157 blocks.
Blocpdb> At most, 31 atoms in each of them.
Blocpdb> At least, 11 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> 1236251 matrix lines read.
Prepmat> Matrix order = 9252
Prepmat> Matrix trace = 2706200.0000
Prepmat> Last element read: 9252 9252 71.7323
Prepmat> 12404 lines saved.
Prepmat> 10927 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: 3084
RTB> Total mass = 3084.0000
RTB> Number of atoms found in matrix: 3084
RTB> Number of blocks = 157
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 224199.4251
RTB> 50781 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 = 942
Diagstd> Nb of non-zero elements: 50781
Diagstd> Projected matrix trace = 224199.4251
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 942 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 224199.4251
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 0.0092121 0.0133997 0.0193144 0.0630063
0.0926054 0.1148458 0.1353583 0.1756047 0.2979392
0.3323593 0.4155736 0.5270583 0.7102236 0.7900873
1.2026360 1.3869205 1.5307536 1.7578096 2.0064123
2.3325905 2.6129825 2.9416178 3.0656190 3.4200015
3.8321664 4.0795639 4.3581123 4.4752864 4.7945690
5.4723814 5.6216630 6.2098987 6.8030747 6.8720646
7.8986012 8.3098813 8.6111910 9.3252872 9.6931807
10.3865705 10.7808502 11.0204636 11.3714484 11.8086395
12.4555088 13.2500007 13.6845296 14.2232873 14.4613275
15.0243099 15.3352971 16.2889066 16.4424935 16.8913594
17.6338805 17.8123357 19.0315511 19.4289982 20.1918946
20.5775657 20.6395132 21.3916495 21.7828259 22.2312442
23.3508687 23.5483258 23.8861559 24.7735993 25.9468514
26.0933745 26.4302181 27.1510201 27.2070504 27.8266977
28.3020208 28.8688242 29.5804169 30.2070289 31.1829453
31.4519800 31.7100124 32.2629232 32.5055174 32.7223014
33.7496604 34.1021719 35.1044744 35.5951841 36.0438491
36.7415425 36.9707532 38.0796068 38.6083152 38.7921042
39.7491169 40.3896158 40.6888923 41.1873926 41.4060644
42.0735157
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034333 0.0034333 0.0034339 0.0034341
0.0034342 10.4225829 12.5701976 15.0916366 27.2575749
33.0455859 36.8004312 39.9519316 45.5054367 59.2732987
62.6035838 70.0034230 78.8360075 91.5151156 96.5234446
119.0864604 127.8854285 134.3531737 143.9730464 153.8173677
165.8496411 175.5349223 186.2466200 190.1316281 200.8206783
212.5775815 219.3320761 226.6963305 229.7236436 237.7771214
254.0290935 257.4706236 270.6060724 283.2356390 284.6681625
305.1900524 313.0348510 318.6595155 331.6090606 338.0869716
349.9704428 356.5511041 360.4916517 366.1872114 373.1601107
383.2445752 395.2785350 401.7077557 409.5390057 412.9517980
420.9132016 425.2471160 438.2694986 440.3308568 446.3007137
456.0046030 458.3061826 473.7316200 478.6526679 487.9595425
492.5975854 493.3384959 502.2470764 506.8184194 512.0084926
524.7431776 526.9571458 530.7236143 540.4927023 553.1432438
554.7028583 558.2717525 565.8331085 566.4166493 572.8304753
577.7021754 583.4583076 590.6054161 596.8281323 606.3925353
609.0027813 611.4958109 616.8039379 619.1185573 621.1796224
630.8556308 634.1416817 643.3932756 647.8745228 651.9448541
658.2243934 660.2743549 670.1029159 674.7388324 676.3429216
684.6348816 690.1287836 692.6809021 696.9111778 698.7587464
704.3681046
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3084
Rtb_to_modes> Number of blocs = 157
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: 9.9883E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.2121E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.3400E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.9314E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.3006E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.2605E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1148
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1354
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1756
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2979
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3324
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4156
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.5271
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.7102
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.7901
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.203
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.387
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.531
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.758
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.006
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.333
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.613
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.942
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.066
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.420
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.832
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.080
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.358
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.475
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.795
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.472
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 5.622
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.210
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.803
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.872
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.899
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.310
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.611
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.325
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.693
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 10.39
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.78
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 11.02
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.81
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 12.46
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 13.68
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.22
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 14.46
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 15.34
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 16.29
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 16.44
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 17.63
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 17.81
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 19.03
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 20.58
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 20.64
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 21.39
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 21.78
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 22.23
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 23.55
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 23.89
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 24.77
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 25.95
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 26.43
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 27.15
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 28.87
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 29.58
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 30.21
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.18
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.45
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 31.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.26
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.51
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 32.72
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 34.10
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.10
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.60
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.04
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 36.97
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.08
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 38.61
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 38.79
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.75
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 40.39
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.69
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 41.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 41.41
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.07
Rtb_to_modes> 106 vectors, with 942 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99997 1.00000 1.00000
1.00003 1.00002 1.00001 1.00001 1.00000
1.00003 0.99999 0.99996 1.00001 1.00000
1.00001 0.99999 0.99999 1.00002 0.99999
0.99997 1.00001 1.00001 1.00000 1.00003
0.99999 1.00000 0.99999 1.00000 0.99994
1.00001 0.99999 1.00002 1.00002 1.00001
1.00000 1.00001 1.00000 1.00004 0.99999
0.99998 1.00002 0.99998 0.99998 1.00001
1.00002 1.00000 1.00000 0.99997 1.00001
1.00000 0.99999 1.00001 0.99998 0.99997
1.00001 0.99999 1.00002 1.00001 0.99998
0.99998 0.99998 1.00000 1.00001 0.99998
1.00001 0.99999 0.99999 1.00002 1.00000
1.00000 0.99999 1.00000 1.00002 1.00003
1.00001 1.00002 0.99998 1.00001 0.99999
0.99996 1.00000 1.00004 1.00000 1.00000
1.00002 1.00002 0.99999 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 0.99999
1.00000 1.00001 1.00000 1.00002 0.99996
1.00001 0.99999 1.00000 1.00000 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 55512 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99997 1.00000 1.00000
1.00003 1.00002 1.00001 1.00001 1.00000
1.00003 0.99999 0.99996 1.00001 1.00000
1.00001 0.99999 0.99999 1.00002 0.99999
0.99997 1.00001 1.00001 1.00000 1.00003
0.99999 1.00000 0.99999 1.00000 0.99994
1.00001 0.99999 1.00002 1.00002 1.00001
1.00000 1.00001 1.00000 1.00004 0.99999
0.99998 1.00002 0.99998 0.99998 1.00001
1.00002 1.00000 1.00000 0.99997 1.00001
1.00000 0.99999 1.00001 0.99998 0.99997
1.00001 0.99999 1.00002 1.00001 0.99998
0.99998 0.99998 1.00000 1.00001 0.99998
1.00001 0.99999 0.99999 1.00002 1.00000
1.00000 0.99999 1.00000 1.00002 1.00003
1.00001 1.00002 0.99998 1.00001 0.99999
0.99996 1.00000 1.00004 1.00000 1.00000
1.00002 1.00002 0.99999 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 0.99999
1.00000 1.00001 1.00000 1.00002 0.99996
1.00001 0.99999 1.00000 1.00000 1.00000
1.00002
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> 2401061715364136637.eigenfacs
Openam> file on opening on unit 10:
2401061715364136637.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401061715364136637.atom
Openam> file on opening on unit 11:
2401061715364136637.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 = 314
First residue number = 0
Last residue number = 313
Number of atoms found = 3084
Mean number per residue = 9.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.2121E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3400E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9314E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3006E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.2605E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 11.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 17.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 19.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 20.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 21.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 23.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 23.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 24.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 25.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 26.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 27.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 28.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 29.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 30.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 31.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 32.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 34.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 36.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 38.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 38.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 40.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 41.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 41.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.07
Bfactors> 106 vectors, 9252 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 : 0.009212
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 1.542 +/- 3.20
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -1.542
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401061715364136637 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=0
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=100
2401061715364136637.eigenfacs
2401061715364136637.atom
making animated gifs
11 models are in 2401061715364136637.7.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 2401061715364136637.7.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 2401061715364136637.7.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 2401061715364136637 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=0
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=100
2401061715364136637.eigenfacs
2401061715364136637.atom
making animated gifs
11 models are in 2401061715364136637.8.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 2401061715364136637.8.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 2401061715364136637.8.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 2401061715364136637 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=0
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=100
2401061715364136637.eigenfacs
2401061715364136637.atom
making animated gifs
11 models are in 2401061715364136637.9.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 2401061715364136637.9.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 2401061715364136637.9.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 2401061715364136637 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=0
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=100
2401061715364136637.eigenfacs
2401061715364136637.atom
making animated gifs
11 models are in 2401061715364136637.10.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 2401061715364136637.10.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 2401061715364136637.10.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 2401061715364136637 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=-20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=0
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=20
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=40
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=60
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=80
2401061715364136637.eigenfacs
2401061715364136637.atom
calculating perturbed structure for DQ=100
2401061715364136637.eigenfacs
2401061715364136637.atom
making animated gifs
11 models are in 2401061715364136637.11.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 2401061715364136637.11.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 2401061715364136637.11.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
2401061715364136637.10.pdb
2401061715364136637.11.pdb
2401061715364136637.7.pdb
2401061715364136637.8.pdb
2401061715364136637.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.179s
user 0m15.113s
sys 0m0.040s
../../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: 2401061715364136637.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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