*** 3erd ***
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 = 2404061742512677744.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 2404061742512677744.atom to be opened.
Openam> File opened: 2404061742512677744.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 = 508
First residue number = 305
Last residue number = 697
Number of atoms found = 3983
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 10.226805 +/- 12.757533 From: -19.651000 To: 40.727000
= -1.406562 +/- 11.078425 From: -27.489000 To: 23.783000
= 11.562797 +/- 14.633578 From: -27.047000 To: 40.925000
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 2.1183 % Filled.
Pdbmat> 1512373 non-zero elements.
Pdbmat> 165412 atom-atom interactions.
Pdbmat> Number per atom= 83.06 +/- 21.43
Maximum number = 126
Minimum number = 15
Pdbmat> Matrix trace = 3.308240E+06
Pdbmat> Larger element = 499.509
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
508 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 = 2404061742512677744.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 2404061742512677744.atom to be opened.
Openam> file on opening on unit 11:
2404061742512677744.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3983 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> 508 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 16
Blocpdb> 20 atoms in block 3
Block first atom: 38
Blocpdb> 24 atoms in block 4
Block first atom: 58
Blocpdb> 19 atoms in block 5
Block first atom: 82
Blocpdb> 29 atoms in block 6
Block first atom: 101
Blocpdb> 23 atoms in block 7
Block first atom: 130
Blocpdb> 28 atoms in block 8
Block first atom: 153
Blocpdb> 23 atoms in block 9
Block first atom: 181
Blocpdb> 19 atoms in block 10
Block first atom: 204
Blocpdb> 23 atoms in block 11
Block first atom: 223
Blocpdb> 20 atoms in block 12
Block first atom: 246
Blocpdb> 22 atoms in block 13
Block first atom: 266
Blocpdb> 20 atoms in block 14
Block first atom: 288
Blocpdb> 23 atoms in block 15
Block first atom: 308
Blocpdb> 24 atoms in block 16
Block first atom: 331
Blocpdb> 24 atoms in block 17
Block first atom: 355
Blocpdb> 26 atoms in block 18
Block first atom: 379
Blocpdb> 27 atoms in block 19
Block first atom: 405
Blocpdb> 38 atoms in block 20
Block first atom: 432
Blocpdb> 22 atoms in block 21
Block first atom: 470
Blocpdb> 23 atoms in block 22
Block first atom: 492
Blocpdb> 25 atoms in block 23
Block first atom: 515
Blocpdb> 24 atoms in block 24
Block first atom: 540
Blocpdb> 26 atoms in block 25
Block first atom: 564
Blocpdb> 20 atoms in block 26
Block first atom: 590
Blocpdb> 31 atoms in block 27
Block first atom: 610
Blocpdb> 24 atoms in block 28
Block first atom: 641
Blocpdb> 20 atoms in block 29
Block first atom: 665
Blocpdb> 32 atoms in block 30
Block first atom: 685
Blocpdb> 23 atoms in block 31
Block first atom: 717
Blocpdb> 21 atoms in block 32
Block first atom: 740
Blocpdb> 25 atoms in block 33
Block first atom: 761
Blocpdb> 23 atoms in block 34
Block first atom: 786
Blocpdb> 24 atoms in block 35
Block first atom: 809
Blocpdb> 27 atoms in block 36
Block first atom: 833
Blocpdb> 21 atoms in block 37
Block first atom: 860
Blocpdb> 22 atoms in block 38
Block first atom: 881
Blocpdb> 21 atoms in block 39
Block first atom: 903
Blocpdb> 24 atoms in block 40
Block first atom: 924
Blocpdb> 27 atoms in block 41
Block first atom: 948
Blocpdb> 21 atoms in block 42
Block first atom: 975
Blocpdb> 19 atoms in block 43
Block first atom: 996
Blocpdb> 33 atoms in block 44
Block first atom: 1015
Blocpdb> 21 atoms in block 45
Block first atom: 1048
Blocpdb> 21 atoms in block 46
Block first atom: 1069
Blocpdb> 29 atoms in block 47
Block first atom: 1090
Blocpdb> 21 atoms in block 48
Block first atom: 1119
Blocpdb> 23 atoms in block 49
Block first atom: 1140
Blocpdb> 24 atoms in block 50
Block first atom: 1163
Blocpdb> 18 atoms in block 51
Block first atom: 1187
Blocpdb> 24 atoms in block 52
Block first atom: 1205
Blocpdb> 15 atoms in block 53
Block first atom: 1229
Blocpdb> 15 atoms in block 54
Block first atom: 1244
Blocpdb> 16 atoms in block 55
Block first atom: 1259
Blocpdb> 23 atoms in block 56
Block first atom: 1275
Blocpdb> 26 atoms in block 57
Block first atom: 1298
Blocpdb> 28 atoms in block 58
Block first atom: 1324
Blocpdb> 25 atoms in block 59
Block first atom: 1352
Blocpdb> 23 atoms in block 60
Block first atom: 1377
Blocpdb> 23 atoms in block 61
Block first atom: 1400
Blocpdb> 26 atoms in block 62
Block first atom: 1423
Blocpdb> 19 atoms in block 63
Block first atom: 1449
Blocpdb> 19 atoms in block 64
Block first atom: 1468
Blocpdb> 26 atoms in block 65
Block first atom: 1487
Blocpdb> 28 atoms in block 66
Block first atom: 1513
Blocpdb> 24 atoms in block 67
Block first atom: 1541
Blocpdb> 25 atoms in block 68
Block first atom: 1565
Blocpdb> 24 atoms in block 69
Block first atom: 1590
Blocpdb> 24 atoms in block 70
Block first atom: 1614
Blocpdb> 29 atoms in block 71
Block first atom: 1638
Blocpdb> 23 atoms in block 72
Block first atom: 1667
Blocpdb> 21 atoms in block 73
Block first atom: 1690
Blocpdb> 30 atoms in block 74
Block first atom: 1711
Blocpdb> 23 atoms in block 75
Block first atom: 1741
Blocpdb> 19 atoms in block 76
Block first atom: 1764
Blocpdb> 21 atoms in block 77
Block first atom: 1783
Blocpdb> 28 atoms in block 78
Block first atom: 1804
Blocpdb> 24 atoms in block 79
Block first atom: 1832
Blocpdb> 25 atoms in block 80
Block first atom: 1856
Blocpdb> 23 atoms in block 81
Block first atom: 1881
Blocpdb> 17 atoms in block 82
Block first atom: 1904
Blocpdb> 18 atoms in block 83
Block first atom: 1921
Blocpdb> 22 atoms in block 84
Block first atom: 1939
Blocpdb> 20 atoms in block 85
Block first atom: 1961
Blocpdb> 24 atoms in block 86
Block first atom: 1981
Blocpdb> 19 atoms in block 87
Block first atom: 2005
Blocpdb> 21 atoms in block 88
Block first atom: 2024
Blocpdb> 23 atoms in block 89
Block first atom: 2045
Blocpdb> 28 atoms in block 90
Block first atom: 2068
Blocpdb> 23 atoms in block 91
Block first atom: 2096
Blocpdb> 22 atoms in block 92
Block first atom: 2119
Blocpdb> 23 atoms in block 93
Block first atom: 2141
Blocpdb> 20 atoms in block 94
Block first atom: 2164
Blocpdb> 22 atoms in block 95
Block first atom: 2184
Blocpdb> 20 atoms in block 96
Block first atom: 2206
Blocpdb> 23 atoms in block 97
Block first atom: 2226
Blocpdb> 24 atoms in block 98
Block first atom: 2249
Blocpdb> 24 atoms in block 99
Block first atom: 2273
Blocpdb> 26 atoms in block 100
Block first atom: 2297
Blocpdb> 27 atoms in block 101
Block first atom: 2323
Blocpdb> 27 atoms in block 102
Block first atom: 2350
Blocpdb> 22 atoms in block 103
Block first atom: 2377
Blocpdb> 23 atoms in block 104
Block first atom: 2399
Blocpdb> 25 atoms in block 105
Block first atom: 2422
Blocpdb> 24 atoms in block 106
Block first atom: 2447
Blocpdb> 26 atoms in block 107
Block first atom: 2471
Blocpdb> 26 atoms in block 108
Block first atom: 2497
Blocpdb> 31 atoms in block 109
Block first atom: 2523
Blocpdb> 24 atoms in block 110
Block first atom: 2554
Blocpdb> 20 atoms in block 111
Block first atom: 2578
Blocpdb> 32 atoms in block 112
Block first atom: 2598
Blocpdb> 23 atoms in block 113
Block first atom: 2630
Blocpdb> 21 atoms in block 114
Block first atom: 2653
Blocpdb> 25 atoms in block 115
Block first atom: 2674
Blocpdb> 23 atoms in block 116
Block first atom: 2699
Blocpdb> 24 atoms in block 117
Block first atom: 2722
Blocpdb> 27 atoms in block 118
Block first atom: 2746
Blocpdb> 21 atoms in block 119
Block first atom: 2773
Blocpdb> 22 atoms in block 120
Block first atom: 2794
Blocpdb> 21 atoms in block 121
Block first atom: 2816
Blocpdb> 24 atoms in block 122
Block first atom: 2837
Blocpdb> 27 atoms in block 123
Block first atom: 2861
Blocpdb> 21 atoms in block 124
Block first atom: 2888
Blocpdb> 19 atoms in block 125
Block first atom: 2909
Blocpdb> 33 atoms in block 126
Block first atom: 2928
Blocpdb> 32 atoms in block 127
Block first atom: 2961
Blocpdb> 21 atoms in block 128
Block first atom: 2993
Blocpdb> 29 atoms in block 129
Block first atom: 3014
Blocpdb> 21 atoms in block 130
Block first atom: 3043
Blocpdb> 23 atoms in block 131
Block first atom: 3064
Blocpdb> 24 atoms in block 132
Block first atom: 3087
Blocpdb> 18 atoms in block 133
Block first atom: 3111
Blocpdb> 26 atoms in block 134
Block first atom: 3129
Blocpdb> 11 atoms in block 135
Block first atom: 3155
Blocpdb> 23 atoms in block 136
Block first atom: 3166
Blocpdb> 23 atoms in block 137
Block first atom: 3189
Blocpdb> 28 atoms in block 138
Block first atom: 3212
Blocpdb> 25 atoms in block 139
Block first atom: 3240
Blocpdb> 23 atoms in block 140
Block first atom: 3265
Blocpdb> 23 atoms in block 141
Block first atom: 3288
Blocpdb> 26 atoms in block 142
Block first atom: 3311
Blocpdb> 19 atoms in block 143
Block first atom: 3337
Blocpdb> 19 atoms in block 144
Block first atom: 3356
Blocpdb> 26 atoms in block 145
Block first atom: 3375
Blocpdb> 28 atoms in block 146
Block first atom: 3401
Blocpdb> 24 atoms in block 147
Block first atom: 3429
Blocpdb> 25 atoms in block 148
Block first atom: 3453
Blocpdb> 24 atoms in block 149
Block first atom: 3478
Blocpdb> 24 atoms in block 150
Block first atom: 3502
Blocpdb> 29 atoms in block 151
Block first atom: 3526
Blocpdb> 23 atoms in block 152
Block first atom: 3555
Blocpdb> 21 atoms in block 153
Block first atom: 3578
Blocpdb> 30 atoms in block 154
Block first atom: 3599
Blocpdb> 23 atoms in block 155
Block first atom: 3629
Blocpdb> 19 atoms in block 156
Block first atom: 3652
Blocpdb> 21 atoms in block 157
Block first atom: 3671
Blocpdb> 28 atoms in block 158
Block first atom: 3692
Blocpdb> 24 atoms in block 159
Block first atom: 3720
Blocpdb> 25 atoms in block 160
Block first atom: 3744
Blocpdb> 23 atoms in block 161
Block first atom: 3769
Blocpdb> 11 atoms in block 162
Block first atom: 3792
Blocpdb> 18 atoms in block 163
Block first atom: 3803
Blocpdb> 29 atoms in block 164
Block first atom: 3821
Blocpdb> 25 atoms in block 165
Block first atom: 3850
Blocpdb> 14 atoms in block 166
Block first atom: 3875
Blocpdb> 24 atoms in block 167
Block first atom: 3889
Blocpdb> 26 atoms in block 168
Block first atom: 3913
Blocpdb> 27 atoms in block 169
Block first atom: 3939
Blocpdb> 18 atoms in block 170
Block first atom: 3965
Blocpdb> 170 blocks.
Blocpdb> At most, 38 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> 1512543 matrix lines read.
Prepmat> Matrix order = 11949
Prepmat> Matrix trace = 3308240.0000
Prepmat> Last element read: 11949 11949 133.9309
Prepmat> 14536 lines saved.
Prepmat> 12706 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: 3983
RTB> Total mass = 3983.0000
RTB> Number of atoms found in matrix: 3983
RTB> Number of blocks = 170
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 218917.1350
RTB> 63294 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 = 1020
Diagstd> Nb of non-zero elements: 63294
Diagstd> Projected matrix trace = 218917.1350
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1020 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 218917.1350
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 2.0264234 2.7539206 3.1618587 6.1470697
6.6672018 6.7519789 7.3630575 8.4811476 9.9116054
10.7452717 10.8561846 11.0315180 11.4229353 12.6445762
13.2987172 13.5571723 13.5744113 14.8881196 15.4724998
15.9288076 16.3078434 17.2198254 17.5053138 18.0135778
18.5861892 18.8968724 19.2026911 19.5614763 20.0648481
21.0608529 22.0823579 22.6871405 23.0226653 23.5395578
24.6406464 24.9960275 25.5071225 26.0627487 26.4808299
27.2550292 27.5852892 27.8139466 28.8034285 29.0733488
29.5866973 30.0622629 30.5837327 31.4305260 31.7841048
32.3758631 32.9600982 33.0855241 33.7287541 33.9877757
34.4814168 34.7316104 35.2067575 35.5797330 36.9410168
37.0196638 38.5136620 38.6547567 39.1073378 39.6127027
39.9978216 41.1517773 41.9251176 42.2036344 42.7784988
43.0298376 43.5680064 43.8344076 44.5748061 44.8808163
45.2834949 46.1868197 46.3897753 47.0663455 47.2402456
47.8444102 48.0905849 48.8673789 49.0807930 49.2409583
49.6869435 50.0715327 50.4840753 50.9803015 51.9284473
52.2186199 52.4287135 53.2008790 53.5400707 54.6588949
55.2872193 55.4468700 55.9054909 57.4469862 57.5955351
58.1636310
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034334 0.0034338 0.0034339 0.0034340 0.0034345
0.0034352 154.5825160 180.2067230 193.0929916 269.2336572
280.3929444 282.1699869 294.6621660 316.2442159 341.8749513
355.9622817 357.7946891 360.6724075 367.0152740 386.1423356
396.0045311 399.8341070 400.0882362 419.0011395 427.1451923
433.3980113 438.5241813 450.6191585 454.3392223 460.8878611
468.1558531 472.0524380 475.8568526 480.2817604 486.4220109
498.3486169 510.2911104 517.2317318 521.0424178 526.8590331
539.0404156 542.9136702 548.4360749 554.3772355 558.8060199
566.9158590 570.3402885 572.6992154 582.7970875 585.5214498
590.6681104 595.3962771 600.5380438 608.7950395 612.2097932
617.8825892 623.4326290 624.6177039 630.6602079 633.0771700
637.6580276 639.9672365 644.3299144 647.7338938 660.0087646
660.7109664 673.9112206 675.1445283 679.0854207 683.4590799
686.7733746 696.6097983 703.1248141 705.4564461 710.2447795
712.3281939 716.7688517 718.9568915 725.0033473 727.4876984
730.7439845 737.9965129 739.6161995 744.9901306 746.3651513
751.1226929 753.0525961 759.1101579 760.7659487 762.0062411
765.4492839 768.4059569 771.5649369 775.3476592 782.5245089
784.7078103 786.2848009 792.0538039 794.5747329 802.8339019
807.4351545 808.6001131 811.9373368 823.0550903 824.1185489
828.1729392
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3983
Rtb_to_modes> Number of blocs = 170
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: 9.9968E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.026
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.754
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.162
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.147
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.667
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.752
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.363
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.481
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.912
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.75
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.86
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.03
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.42
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.30
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.56
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.89
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.47
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.31
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.22
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.51
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.01
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.59
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.90
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.20
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 19.56
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 20.06
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.06
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.08
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.69
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.02
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.54
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.00
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.51
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.06
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.48
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 27.81
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 28.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 29.07
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 29.59
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 30.06
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 30.58
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 32.38
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 32.96
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 33.09
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 33.73
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 33.99
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 34.48
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 34.73
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 35.21
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 35.58
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 36.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 37.02
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 38.51
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 38.65
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 39.11
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 39.61
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 40.00
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 41.15
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 41.93
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 42.20
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 42.78
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 43.03
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 43.57
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 43.83
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 44.57
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 44.88
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 45.28
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 46.19
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 46.39
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 47.07
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 47.24
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 47.84
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 48.09
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 48.87
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 49.08
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 49.24
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 49.69
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 50.48
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 50.98
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 51.93
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 52.22
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 52.43
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 53.20
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 53.54
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 54.66
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 55.29
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 55.45
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 55.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 57.45
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 57.60
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 58.16
Rtb_to_modes> 106 vectors, with 1020 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00001 1.00001 0.99999
1.00000 0.99998 1.00000 0.99999 1.00001
0.99998 1.00000 1.00001 0.99999 0.99998
0.99999 0.99999 1.00002 1.00001 1.00001
1.00003 1.00000 1.00001 1.00001 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99998 1.00000 0.99998 0.99999
1.00003 0.99999 1.00003 0.99998 1.00001
1.00002 0.99998 0.99999 0.99998 1.00001
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 1.00001 1.00000 1.00002 0.99997
0.99999 0.99998 1.00001 0.99999 0.99999
1.00003 0.99999 0.99999 0.99999 1.00001
1.00003 1.00002 1.00001 0.99999 1.00000
0.99998 1.00000 1.00000 1.00001 1.00001
0.99999 0.99999 0.99999 1.00000 0.99997
0.99999 1.00002 0.99999 0.99998 0.99999
0.99999 0.99997 1.00000 0.99999 1.00001
1.00001 1.00001 1.00001 1.00000 1.00001
1.00002 0.99996 1.00000 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 71694 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00001 1.00001 0.99999
1.00000 0.99998 1.00000 0.99999 1.00001
0.99998 1.00000 1.00001 0.99999 0.99998
0.99999 0.99999 1.00002 1.00001 1.00001
1.00003 1.00000 1.00001 1.00001 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99998 1.00000 0.99998 0.99999
1.00003 0.99999 1.00003 0.99998 1.00001
1.00002 0.99998 0.99999 0.99998 1.00001
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 1.00001 1.00000 1.00002 0.99997
0.99999 0.99998 1.00001 0.99999 0.99999
1.00003 0.99999 0.99999 0.99999 1.00001
1.00003 1.00002 1.00001 0.99999 1.00000
0.99998 1.00000 1.00000 1.00001 1.00001
0.99999 0.99999 0.99999 1.00000 0.99997
0.99999 1.00002 0.99999 0.99998 0.99999
0.99999 0.99997 1.00000 0.99999 1.00001
1.00001 1.00001 1.00001 1.00000 1.00001
1.00002 0.99996 1.00000 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00002
1.00001
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> 2404061742512677744.eigenfacs
Openam> file on opening on unit 10:
2404061742512677744.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404061742512677744.atom
Openam> file on opening on unit 11:
2404061742512677744.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 = 508
First residue number = 305
Last residue number = 697
Number of atoms found = 3983
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.754
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.752
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 19.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 27.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 28.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 29.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 29.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 30.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 30.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 32.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 32.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 33.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 33.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 33.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 34.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 34.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 35.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 35.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 36.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 37.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 38.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 38.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 39.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 39.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 40.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 41.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 41.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 42.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 42.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 43.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 43.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 43.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 44.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 44.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 45.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 46.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 46.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 47.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 47.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 47.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 48.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 48.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 49.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 49.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 49.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 50.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 50.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 51.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 52.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 52.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 53.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 53.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 54.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 55.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 55.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 55.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 57.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 57.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 58.16
Bfactors> 106 vectors, 11949 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 : 2.026000
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= 0.652 for 508 C-alpha atoms.
Bfactors> = 0.020 +/- 0.03
Bfactors> = 33.022 +/- 14.93
Bfactors> Shiftng-fct= 33.001
Bfactors> Scaling-fct= 547.527
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404061742512677744 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=0
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=100
2404061742512677744.eigenfacs
2404061742512677744.atom
making animated gifs
11 models are in 2404061742512677744.7.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 2404061742512677744.7.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 2404061742512677744.7.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 2404061742512677744 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=0
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=100
2404061742512677744.eigenfacs
2404061742512677744.atom
making animated gifs
11 models are in 2404061742512677744.8.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 2404061742512677744.8.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 2404061742512677744.8.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 2404061742512677744 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=0
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=100
2404061742512677744.eigenfacs
2404061742512677744.atom
making animated gifs
11 models are in 2404061742512677744.9.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 2404061742512677744.9.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 2404061742512677744.9.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 2404061742512677744 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=0
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=100
2404061742512677744.eigenfacs
2404061742512677744.atom
making animated gifs
11 models are in 2404061742512677744.10.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 2404061742512677744.10.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 2404061742512677744.10.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 2404061742512677744 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=-20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=0
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=20
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=40
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=60
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=80
2404061742512677744.eigenfacs
2404061742512677744.atom
calculating perturbed structure for DQ=100
2404061742512677744.eigenfacs
2404061742512677744.atom
making animated gifs
11 models are in 2404061742512677744.11.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 2404061742512677744.11.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 2404061742512677744.11.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
2404061742512677744.10.pdb
2404061742512677744.11.pdb
2404061742512677744.7.pdb
2404061742512677744.8.pdb
2404061742512677744.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m19.864s
user 0m19.783s
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: 2404061742512677744.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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