*** OXYGEN TRANSPORT 22-JAN-98 1A3N ***
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 = 2402291140461058950.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 2402291140461058950.atom to be opened.
Openam> File opened: 2402291140461058950.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 = 572
First residue number = 1
Last residue number = 146
Number of atoms found = 4370
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 14.483315 +/- 15.851597 From: -18.497000 To: 46.646000
= 2.053630 +/- 11.753914 From: -25.579000 To: 30.722000
= 13.104261 +/- 12.642768 From: -15.763000 To: 42.355000
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 1.9046 % Filled.
Pdbmat> 1636820 non-zero elements.
Pdbmat> 178985 atom-atom interactions.
Pdbmat> Number per atom= 81.92 +/- 20.74
Maximum number = 130
Minimum number = 11
Pdbmat> Matrix trace = 3.579700E+06
Pdbmat> Larger element = 497.632
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
572 non-zero elements, NRBL set to 3
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 = 2402291140461058950.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2402291140461058950.atom to be opened.
Openam> file on opening on unit 11:
2402291140461058950.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4370 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 572 residues.
Blocpdb> 21 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 22
Blocpdb> 24 atoms in block 3
Block first atom: 42
Blocpdb> 21 atoms in block 4
Block first atom: 66
Blocpdb> 23 atoms in block 5
Block first atom: 87
Blocpdb> 20 atoms in block 6
Block first atom: 110
Blocpdb> 20 atoms in block 7
Block first atom: 130
Blocpdb> 25 atoms in block 8
Block first atom: 150
Blocpdb> 18 atoms in block 9
Block first atom: 175
Blocpdb> 22 atoms in block 10
Block first atom: 193
Blocpdb> 30 atoms in block 11
Block first atom: 215
Blocpdb> 25 atoms in block 12
Block first atom: 245
Blocpdb> 21 atoms in block 13
Block first atom: 270
Blocpdb> 28 atoms in block 14
Block first atom: 291
Blocpdb> 28 atoms in block 15
Block first atom: 319
Blocpdb> 27 atoms in block 16
Block first atom: 347
Blocpdb> 20 atoms in block 17
Block first atom: 374
Blocpdb> 20 atoms in block 18
Block first atom: 394
Blocpdb> 20 atoms in block 19
Block first atom: 414
Blocpdb> 23 atoms in block 20
Block first atom: 434
Blocpdb> 21 atoms in block 21
Block first atom: 457
Blocpdb> 21 atoms in block 22
Block first atom: 478
Blocpdb> 20 atoms in block 23
Block first atom: 499
Blocpdb> 22 atoms in block 24
Block first atom: 519
Blocpdb> 23 atoms in block 25
Block first atom: 541
Blocpdb> 23 atoms in block 26
Block first atom: 564
Blocpdb> 19 atoms in block 27
Block first atom: 587
Blocpdb> 19 atoms in block 28
Block first atom: 606
Blocpdb> 26 atoms in block 29
Block first atom: 625
Blocpdb> 24 atoms in block 30
Block first atom: 651
Blocpdb> 26 atoms in block 31
Block first atom: 675
Blocpdb> 22 atoms in block 32
Block first atom: 701
Blocpdb> 28 atoms in block 33
Block first atom: 723
Blocpdb> 22 atoms in block 34
Block first atom: 751
Blocpdb> 24 atoms in block 35
Block first atom: 773
Blocpdb> 22 atoms in block 36
Block first atom: 797
Blocpdb> 18 atoms in block 37
Block first atom: 819
Blocpdb> 25 atoms in block 38
Block first atom: 837
Blocpdb> 25 atoms in block 39
Block first atom: 862
Blocpdb> 19 atoms in block 40
Block first atom: 887
Blocpdb> 22 atoms in block 41
Block first atom: 906
Blocpdb> 22 atoms in block 42
Block first atom: 928
Blocpdb> 28 atoms in block 43
Block first atom: 950
Blocpdb> 18 atoms in block 44
Block first atom: 978
Blocpdb> 20 atoms in block 45
Block first atom: 996
Blocpdb> 21 atoms in block 46
Block first atom: 1016
Blocpdb> 33 atoms in block 47
Block first atom: 1037
Blocpdb> 25 atoms in block 48
Block first atom: 1070
Blocpdb> 25 atoms in block 49
Block first atom: 1095
Blocpdb> 20 atoms in block 50
Block first atom: 1120
Blocpdb> 19 atoms in block 51
Block first atom: 1140
Blocpdb> 26 atoms in block 52
Block first atom: 1159
Blocpdb> 24 atoms in block 53
Block first atom: 1185
Blocpdb> 24 atoms in block 54
Block first atom: 1209
Blocpdb> 15 atoms in block 55
Block first atom: 1233
Blocpdb> 22 atoms in block 56
Block first atom: 1248
Blocpdb> 23 atoms in block 57
Block first atom: 1270
Blocpdb> 22 atoms in block 58
Block first atom: 1293
Blocpdb> 33 atoms in block 59
Block first atom: 1315
Blocpdb> 27 atoms in block 60
Block first atom: 1348
Blocpdb> 31 atoms in block 61
Block first atom: 1375
Blocpdb> 21 atoms in block 62
Block first atom: 1406
Blocpdb> 22 atoms in block 63
Block first atom: 1427
Blocpdb> 22 atoms in block 64
Block first atom: 1449
Blocpdb> 20 atoms in block 65
Block first atom: 1471
Blocpdb> 19 atoms in block 66
Block first atom: 1491
Blocpdb> 25 atoms in block 67
Block first atom: 1510
Blocpdb> 19 atoms in block 68
Block first atom: 1535
Blocpdb> 25 atoms in block 69
Block first atom: 1554
Blocpdb> 17 atoms in block 70
Block first atom: 1579
Blocpdb> 25 atoms in block 71
Block first atom: 1596
Blocpdb> 17 atoms in block 72
Block first atom: 1621
Blocpdb> 26 atoms in block 73
Block first atom: 1638
Blocpdb> 25 atoms in block 74
Block first atom: 1664
Blocpdb> 22 atoms in block 75
Block first atom: 1689
Blocpdb> 20 atoms in block 76
Block first atom: 1711
Blocpdb> 23 atoms in block 77
Block first atom: 1731
Blocpdb> 24 atoms in block 78
Block first atom: 1754
Blocpdb> 27 atoms in block 79
Block first atom: 1778
Blocpdb> 22 atoms in block 80
Block first atom: 1805
Blocpdb> 28 atoms in block 81
Block first atom: 1827
Blocpdb> 27 atoms in block 82
Block first atom: 1855
Blocpdb> 19 atoms in block 83
Block first atom: 1882
Blocpdb> 21 atoms in block 84
Block first atom: 1901
Blocpdb> 20 atoms in block 85
Block first atom: 1922
Blocpdb> 31 atoms in block 86
Block first atom: 1942
Blocpdb> 22 atoms in block 87
Block first atom: 1973
Blocpdb> 25 atoms in block 88
Block first atom: 1995
Blocpdb> 23 atoms in block 89
Block first atom: 2020
Blocpdb> 22 atoms in block 90
Block first atom: 2043
Blocpdb> 25 atoms in block 91
Block first atom: 2065
Blocpdb> 16 atoms in block 92
Block first atom: 2090
Blocpdb> 20 atoms in block 93
Block first atom: 2106
Blocpdb> 18 atoms in block 94
Block first atom: 2126
Blocpdb> 31 atoms in block 95
Block first atom: 2144
Blocpdb> 11 atoms in block 96
Block first atom: 2175
Blocpdb> 21 atoms in block 97
Block first atom: 2186
Blocpdb> 20 atoms in block 98
Block first atom: 2207
Blocpdb> 24 atoms in block 99
Block first atom: 2227
Blocpdb> 21 atoms in block 100
Block first atom: 2251
Blocpdb> 23 atoms in block 101
Block first atom: 2272
Blocpdb> 20 atoms in block 102
Block first atom: 2295
Blocpdb> 20 atoms in block 103
Block first atom: 2315
Blocpdb> 25 atoms in block 104
Block first atom: 2335
Blocpdb> 18 atoms in block 105
Block first atom: 2360
Blocpdb> 22 atoms in block 106
Block first atom: 2378
Blocpdb> 30 atoms in block 107
Block first atom: 2400
Blocpdb> 25 atoms in block 108
Block first atom: 2430
Blocpdb> 21 atoms in block 109
Block first atom: 2455
Blocpdb> 28 atoms in block 110
Block first atom: 2476
Blocpdb> 28 atoms in block 111
Block first atom: 2504
Blocpdb> 27 atoms in block 112
Block first atom: 2532
Blocpdb> 20 atoms in block 113
Block first atom: 2559
Blocpdb> 20 atoms in block 114
Block first atom: 2579
Blocpdb> 20 atoms in block 115
Block first atom: 2599
Blocpdb> 23 atoms in block 116
Block first atom: 2619
Blocpdb> 21 atoms in block 117
Block first atom: 2642
Blocpdb> 21 atoms in block 118
Block first atom: 2663
Blocpdb> 20 atoms in block 119
Block first atom: 2684
Blocpdb> 22 atoms in block 120
Block first atom: 2704
Blocpdb> 23 atoms in block 121
Block first atom: 2726
Blocpdb> 23 atoms in block 122
Block first atom: 2749
Blocpdb> 19 atoms in block 123
Block first atom: 2772
Blocpdb> 19 atoms in block 124
Block first atom: 2791
Blocpdb> 26 atoms in block 125
Block first atom: 2810
Blocpdb> 24 atoms in block 126
Block first atom: 2836
Blocpdb> 26 atoms in block 127
Block first atom: 2860
Blocpdb> 22 atoms in block 128
Block first atom: 2886
Blocpdb> 28 atoms in block 129
Block first atom: 2908
Blocpdb> 22 atoms in block 130
Block first atom: 2936
Blocpdb> 24 atoms in block 131
Block first atom: 2958
Blocpdb> 22 atoms in block 132
Block first atom: 2982
Blocpdb> 18 atoms in block 133
Block first atom: 3004
Blocpdb> 25 atoms in block 134
Block first atom: 3022
Blocpdb> 25 atoms in block 135
Block first atom: 3047
Blocpdb> 19 atoms in block 136
Block first atom: 3072
Blocpdb> 22 atoms in block 137
Block first atom: 3091
Blocpdb> 22 atoms in block 138
Block first atom: 3113
Blocpdb> 28 atoms in block 139
Block first atom: 3135
Blocpdb> 18 atoms in block 140
Block first atom: 3163
Blocpdb> 20 atoms in block 141
Block first atom: 3181
Blocpdb> 21 atoms in block 142
Block first atom: 3201
Blocpdb> 33 atoms in block 143
Block first atom: 3222
Blocpdb> 25 atoms in block 144
Block first atom: 3255
Blocpdb> 25 atoms in block 145
Block first atom: 3280
Blocpdb> 20 atoms in block 146
Block first atom: 3305
Blocpdb> 19 atoms in block 147
Block first atom: 3325
Blocpdb> 26 atoms in block 148
Block first atom: 3344
Blocpdb> 24 atoms in block 149
Block first atom: 3370
Blocpdb> 24 atoms in block 150
Block first atom: 3394
Blocpdb> 15 atoms in block 151
Block first atom: 3418
Blocpdb> 22 atoms in block 152
Block first atom: 3433
Blocpdb> 23 atoms in block 153
Block first atom: 3455
Blocpdb> 22 atoms in block 154
Block first atom: 3478
Blocpdb> 33 atoms in block 155
Block first atom: 3500
Blocpdb> 27 atoms in block 156
Block first atom: 3533
Blocpdb> 31 atoms in block 157
Block first atom: 3560
Blocpdb> 21 atoms in block 158
Block first atom: 3591
Blocpdb> 22 atoms in block 159
Block first atom: 3612
Blocpdb> 22 atoms in block 160
Block first atom: 3634
Blocpdb> 20 atoms in block 161
Block first atom: 3656
Blocpdb> 19 atoms in block 162
Block first atom: 3676
Blocpdb> 25 atoms in block 163
Block first atom: 3695
Blocpdb> 19 atoms in block 164
Block first atom: 3720
Blocpdb> 25 atoms in block 165
Block first atom: 3739
Blocpdb> 17 atoms in block 166
Block first atom: 3764
Blocpdb> 25 atoms in block 167
Block first atom: 3781
Blocpdb> 17 atoms in block 168
Block first atom: 3806
Blocpdb> 26 atoms in block 169
Block first atom: 3823
Blocpdb> 25 atoms in block 170
Block first atom: 3849
Blocpdb> 22 atoms in block 171
Block first atom: 3874
Blocpdb> 20 atoms in block 172
Block first atom: 3896
Blocpdb> 23 atoms in block 173
Block first atom: 3916
Blocpdb> 24 atoms in block 174
Block first atom: 3939
Blocpdb> 27 atoms in block 175
Block first atom: 3963
Blocpdb> 22 atoms in block 176
Block first atom: 3990
Blocpdb> 28 atoms in block 177
Block first atom: 4012
Blocpdb> 27 atoms in block 178
Block first atom: 4040
Blocpdb> 19 atoms in block 179
Block first atom: 4067
Blocpdb> 21 atoms in block 180
Block first atom: 4086
Blocpdb> 20 atoms in block 181
Block first atom: 4107
Blocpdb> 31 atoms in block 182
Block first atom: 4127
Blocpdb> 22 atoms in block 183
Block first atom: 4158
Blocpdb> 25 atoms in block 184
Block first atom: 4180
Blocpdb> 23 atoms in block 185
Block first atom: 4205
Blocpdb> 22 atoms in block 186
Block first atom: 4228
Blocpdb> 25 atoms in block 187
Block first atom: 4250
Blocpdb> 16 atoms in block 188
Block first atom: 4275
Blocpdb> 20 atoms in block 189
Block first atom: 4291
Blocpdb> 18 atoms in block 190
Block first atom: 4311
Blocpdb> 31 atoms in block 191
Block first atom: 4329
Blocpdb> 11 atoms in block 192
Block first atom: 4359
Blocpdb> 192 blocks.
Blocpdb> At most, 33 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> 1637012 matrix lines read.
Prepmat> Matrix order = 13110
Prepmat> Matrix trace = 3579700.0000
Prepmat> Last element read: 13110 13110 116.6669
Prepmat> 18529 lines saved.
Prepmat> 16565 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: 4370
RTB> Total mass = 4370.0000
RTB> Number of atoms found in matrix: 4370
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 247321.6134
RTB> 67788 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 = 1152
Diagstd> Nb of non-zero elements: 67788
Diagstd> Projected matrix trace = 247321.6134
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1152 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 247321.6134
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 1.7076809 2.0729583 3.4002133 3.8835933
4.0944352 5.2206333 6.6937629 6.7993728 7.1681662
7.6859886 8.2426217 9.1874005 9.8673375 9.9915960
10.3357387 10.8327398 10.9243153 11.6036166 12.2405837
12.2818931 13.6391516 14.0377267 15.0898777 15.4789405
15.8657878 16.0526960 16.2681374 16.6594028 17.4925592
17.9034921 18.6641957 19.7452002 20.4582010 21.1671219
21.8203312 22.0683530 23.0063839 23.1157747 23.5195943
24.0815005 24.7391615 25.6403405 25.7530121 25.9382427
26.5417493 27.0900553 27.5470919 28.3554467 28.6327545
28.7867234 29.0883350 30.6783333 31.0266361 31.4914735
31.6749072 32.6745942 32.8991237 33.7260896 33.8465668
34.7406126 35.0531089 35.4171876 36.0586250 37.2068348
38.8402080 39.0764743 39.5770905 39.7190803 40.0846465
40.5775152 40.8229811 41.3919117 42.3557518 42.7623388
43.0631359 43.1721900 44.5484665 44.8893700 45.2532712
46.4556013 47.0728689 47.4939947 47.5184745 47.6729558
48.6799314 49.3320976 49.6144263 49.9110830 50.3352918
50.6459677 51.0529420 51.9740323 52.4139886 52.9344649
53.3478661 54.0179810 54.2893722 54.3877612 55.0530390
55.6790650
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034308 0.0034330 0.0034340 0.0034341 0.0034357
0.0034358 141.9053096 156.3473630 200.2388599 213.9992009
219.7314795 248.1172013 280.9509094 283.1585686 290.7363373
301.0545171 311.7654349 329.1482909 341.1106448 343.2517134
349.1130166 357.4081368 358.9156483 369.9065024 379.9236627
380.5642053 401.0411694 406.8587599 421.8306581 427.2340874
432.5398256 435.0801511 437.9900008 443.2257616 454.1736731
459.4773999 469.1372528 482.5319239 491.1667976 499.6043210
507.2545472 510.1292683 520.8581467 522.0949675 526.6355755
532.8893642 540.1169027 549.8663901 551.0732067 553.0514748
559.4484199 565.1974916 569.9452774 578.2471846 581.0678479
582.6280614 585.6723374 601.4661093 604.8708097 609.3850157
611.1572332 620.7266359 622.8557034 630.6352974 631.7606787
640.0501690 642.9223913 646.2526195 652.0784706 662.3791347
676.7621383 678.8174007 683.1517922 684.3761592 687.5183745
691.7322199 693.8213159 698.6393172 706.7266647 710.1106163
712.6037553 713.5054919 724.7891106 727.5570200 730.5000828
740.1407621 745.0417570 748.3670027 748.5598426 749.7756298
757.6528462 762.7111079 764.8905001 767.1738251 770.4271441
772.8010739 775.8998488 782.8679003 786.1743767 790.0681309
793.1472201 798.1131274 800.1155115 800.8402111 805.7233120
810.2914325
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4370
Rtb_to_modes> Number of blocs = 192
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: 9.9817E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.708
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.073
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.400
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.884
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.094
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.221
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.694
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.799
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.168
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.686
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.243
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.187
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.867
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.992
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.83
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.24
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.28
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.64
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.04
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.09
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.87
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.05
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.27
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.66
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 17.49
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.90
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.66
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 19.75
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.17
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 21.82
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.07
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 23.01
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.52
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.08
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 24.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.64
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.75
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 25.94
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.54
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 27.09
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 27.55
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 28.63
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 28.79
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 29.09
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.03
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.49
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 31.67
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 32.67
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 32.90
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 33.73
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 33.85
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.74
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 35.05
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 35.42
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 36.06
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 37.21
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.84
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 39.08
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.58
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 39.72
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 40.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 40.58
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 40.82
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 41.39
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 42.36
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 42.76
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 43.06
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 43.17
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 44.55
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 44.89
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 45.25
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 46.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 47.07
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 47.49
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 47.52
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 47.67
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 48.68
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 49.33
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 49.61
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 49.91
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 50.34
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 50.65
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.41
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 52.93
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.35
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 54.02
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 54.29
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 54.39
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 55.05
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 55.68
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 1.00002 1.00003 1.00000 1.00001
1.00000 0.99999 1.00000 0.99999 1.00001
0.99999 1.00001 1.00002 1.00001 1.00001
0.99999 1.00000 0.99998 0.99997 1.00001
1.00001 0.99999 1.00003 1.00000 0.99999
1.00000 1.00001 1.00002 0.99999 1.00000
1.00001 1.00001 0.99999 1.00001 1.00001
1.00000 1.00001 0.99999 1.00000 1.00002
0.99999 1.00001 1.00001 0.99999 0.99999
1.00002 0.99998 1.00001 1.00002 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 0.99999 1.00002 0.99999 1.00000
0.99998 1.00000 1.00000 1.00001 1.00003
1.00001 1.00000 0.99998 1.00000 1.00001
1.00000 0.99998 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 1.00002 0.99999
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00001 1.00001 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
0.99999 1.00001 1.00000 1.00000 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 78660 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 1.00002 1.00003 1.00000 1.00001
1.00000 0.99999 1.00000 0.99999 1.00001
0.99999 1.00001 1.00002 1.00001 1.00001
0.99999 1.00000 0.99998 0.99997 1.00001
1.00001 0.99999 1.00003 1.00000 0.99999
1.00000 1.00001 1.00002 0.99999 1.00000
1.00001 1.00001 0.99999 1.00001 1.00001
1.00000 1.00001 0.99999 1.00000 1.00002
0.99999 1.00001 1.00001 0.99999 0.99999
1.00002 0.99998 1.00001 1.00002 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 0.99999 1.00002 0.99999 1.00000
0.99998 1.00000 1.00000 1.00001 1.00003
1.00001 1.00000 0.99998 1.00000 1.00001
1.00000 0.99998 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 1.00002 0.99999
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00001 1.00001 1.00000
1.00000 0.99999 1.00001 0.99998 0.99999
0.99999 1.00001 1.00000 1.00000 1.00000
0.99999
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> 2402291140461058950.eigenfacs
Openam> file on opening on unit 10:
2402291140461058950.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402291140461058950.atom
Openam> file on opening on unit 11:
2402291140461058950.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 = 572
First residue number = 1
Last residue number = 146
Number of atoms found = 4370
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9817E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-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: 1.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.686
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 17.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 19.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 21.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 23.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 24.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 25.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 27.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 27.55
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: 28.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 28.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 29.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 31.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 32.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 32.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 33.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 33.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 35.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 35.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 36.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 37.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 39.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 39.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 40.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 40.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 40.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 42.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 42.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 43.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 43.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 44.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 44.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 45.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 46.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 47.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 47.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 47.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 47.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 48.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 49.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 49.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 49.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 50.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 50.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 52.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 54.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 54.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 54.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 55.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 55.68
Bfactors> 106 vectors, 13110 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 : 1.708000
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= 0.702 for 572 C-alpha atoms.
Bfactors> = 0.021 +/- 0.01
Bfactors> = 14.279 +/- 4.62
Bfactors> Shiftng-fct= 14.258
Bfactors> Scaling-fct= 333.162
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402291140461058950 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=0
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=100
2402291140461058950.eigenfacs
2402291140461058950.atom
making animated gifs
11 models are in 2402291140461058950.7.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 2402291140461058950.7.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 2402291140461058950.7.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 2402291140461058950 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=0
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=100
2402291140461058950.eigenfacs
2402291140461058950.atom
making animated gifs
11 models are in 2402291140461058950.8.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 2402291140461058950.8.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 2402291140461058950.8.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 2402291140461058950 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=0
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=100
2402291140461058950.eigenfacs
2402291140461058950.atom
making animated gifs
11 models are in 2402291140461058950.9.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 2402291140461058950.9.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 2402291140461058950.9.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 2402291140461058950 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=0
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=100
2402291140461058950.eigenfacs
2402291140461058950.atom
making animated gifs
11 models are in 2402291140461058950.10.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 2402291140461058950.10.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 2402291140461058950.10.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 2402291140461058950 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=-20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=0
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=20
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=40
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=60
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=80
2402291140461058950.eigenfacs
2402291140461058950.atom
calculating perturbed structure for DQ=100
2402291140461058950.eigenfacs
2402291140461058950.atom
making animated gifs
11 models are in 2402291140461058950.11.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 2402291140461058950.11.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 2402291140461058950.11.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
2402291140461058950.10.pdb
2402291140461058950.11.pdb
2402291140461058950.7.pdb
2402291140461058950.8.pdb
2402291140461058950.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.764s
user 0m28.684s
sys 0m0.080s
../../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: 2402291140461058950.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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