*** a ***
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 = 2404241836012300378.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 2404241836012300378.atom to be opened.
Openam> File opened: 2404241836012300378.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 = 1800
First residue number = 7
Last residue number = 585
Number of atoms found = 14336
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -65.101366 +/- 29.733881 From: -151.485000 To: 22.122000
= 45.284778 +/- 29.398188 From: -31.562000 To: 126.339000
= -30.452824 +/- 27.791514 From: -90.678000 To: 29.302000
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 0.4976 % Filled.
Pdbmat> 4601765 non-zero elements.
Pdbmat> 501841 atom-atom interactions.
Pdbmat> Number per atom= 70.01 +/- 25.31
Maximum number = 125
Minimum number = 9
Pdbmat> Matrix trace = 1.003682E+07
Pdbmat> Larger element = 503.044
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1800 non-zero elements, NRBL set to 10
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 = 2404241836012300378.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 10
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 2404241836012300378.atom to be opened.
Openam> file on opening on unit 11:
2404241836012300378.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 14336 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 10 residue(s) per block.
Blocpdb> 1800 residues.
Blocpdb> 72 atoms in block 1
Block first atom: 1
Blocpdb> 88 atoms in block 2
Block first atom: 73
Blocpdb> 82 atoms in block 3
Block first atom: 161
Blocpdb> 79 atoms in block 4
Block first atom: 243
Blocpdb> 90 atoms in block 5
Block first atom: 322
Blocpdb> 84 atoms in block 6
Block first atom: 412
Blocpdb> 87 atoms in block 7
Block first atom: 496
Blocpdb> 68 atoms in block 8
Block first atom: 583
Blocpdb> 89 atoms in block 9
Block first atom: 651
Blocpdb> 81 atoms in block 10
Block first atom: 740
Blocpdb> 90 atoms in block 11
Block first atom: 821
Blocpdb> 22 atoms in block 12
Block first atom: 911
Blocpdb> 80 atoms in block 13
Block first atom: 933
Blocpdb> 76 atoms in block 14
Block first atom: 1013
Blocpdb> 56 atoms in block 15
Block first atom: 1089
Blocpdb> 85 atoms in block 16
Block first atom: 1145
Blocpdb> 83 atoms in block 17
Block first atom: 1230
Blocpdb> 70 atoms in block 18
Block first atom: 1313
Blocpdb> 85 atoms in block 19
Block first atom: 1383
Blocpdb> 28 atoms in block 20
Block first atom: 1468
Blocpdb> 89 atoms in block 21
Block first atom: 1496
Blocpdb> 86 atoms in block 22
Block first atom: 1585
Blocpdb> 77 atoms in block 23
Block first atom: 1671
Blocpdb> 86 atoms in block 24
Block first atom: 1748
Blocpdb> 71 atoms in block 25
Block first atom: 1834
Blocpdb> 82 atoms in block 26
Block first atom: 1905
Blocpdb> 81 atoms in block 27
Block first atom: 1987
Blocpdb> 85 atoms in block 28
Block first atom: 2068
Blocpdb> 73 atoms in block 29
Block first atom: 2153
Blocpdb> 82 atoms in block 30
Block first atom: 2226
Blocpdb> 60 atoms in block 31
Block first atom: 2308
Blocpdb> 71 atoms in block 32
Block first atom: 2368
Blocpdb> 82 atoms in block 33
Block first atom: 2439
Blocpdb> 82 atoms in block 34
Block first atom: 2521
Blocpdb> 85 atoms in block 35
Block first atom: 2603
Blocpdb> 72 atoms in block 36
Block first atom: 2688
Blocpdb> 77 atoms in block 37
Block first atom: 2760
Blocpdb> 76 atoms in block 38
Block first atom: 2837
Blocpdb> 80 atoms in block 39
Block first atom: 2913
Blocpdb> 65 atoms in block 40
Block first atom: 2993
Blocpdb> 78 atoms in block 41
Block first atom: 3058
Blocpdb> 79 atoms in block 42
Block first atom: 3136
Blocpdb> 77 atoms in block 43
Block first atom: 3215
Blocpdb> 76 atoms in block 44
Block first atom: 3292
Blocpdb> 70 atoms in block 45
Block first atom: 3368
Blocpdb> 78 atoms in block 46
Block first atom: 3438
Blocpdb> 69 atoms in block 47
Block first atom: 3516
Blocpdb> 72 atoms in block 48
Block first atom: 3585
Blocpdb> 88 atoms in block 49
Block first atom: 3657
Blocpdb> 82 atoms in block 50
Block first atom: 3745
Blocpdb> 79 atoms in block 51
Block first atom: 3827
Blocpdb> 90 atoms in block 52
Block first atom: 3906
Blocpdb> 84 atoms in block 53
Block first atom: 3996
Blocpdb> 87 atoms in block 54
Block first atom: 4080
Blocpdb> 68 atoms in block 55
Block first atom: 4167
Blocpdb> 89 atoms in block 56
Block first atom: 4235
Blocpdb> 81 atoms in block 57
Block first atom: 4324
Blocpdb> 90 atoms in block 58
Block first atom: 4405
Blocpdb> 22 atoms in block 59
Block first atom: 4495
Blocpdb> 80 atoms in block 60
Block first atom: 4517
Blocpdb> 76 atoms in block 61
Block first atom: 4597
Blocpdb> 56 atoms in block 62
Block first atom: 4673
Blocpdb> 85 atoms in block 63
Block first atom: 4729
Blocpdb> 83 atoms in block 64
Block first atom: 4814
Blocpdb> 70 atoms in block 65
Block first atom: 4897
Blocpdb> 85 atoms in block 66
Block first atom: 4967
Blocpdb> 28 atoms in block 67
Block first atom: 5052
Blocpdb> 89 atoms in block 68
Block first atom: 5080
Blocpdb> 86 atoms in block 69
Block first atom: 5169
Blocpdb> 77 atoms in block 70
Block first atom: 5255
Blocpdb> 86 atoms in block 71
Block first atom: 5332
Blocpdb> 71 atoms in block 72
Block first atom: 5418
Blocpdb> 82 atoms in block 73
Block first atom: 5489
Blocpdb> 81 atoms in block 74
Block first atom: 5571
Blocpdb> 85 atoms in block 75
Block first atom: 5652
Blocpdb> 73 atoms in block 76
Block first atom: 5737
Blocpdb> 82 atoms in block 77
Block first atom: 5810
Blocpdb> 60 atoms in block 78
Block first atom: 5892
Blocpdb> 71 atoms in block 79
Block first atom: 5952
Blocpdb> 82 atoms in block 80
Block first atom: 6023
Blocpdb> 82 atoms in block 81
Block first atom: 6105
Blocpdb> 85 atoms in block 82
Block first atom: 6187
Blocpdb> 72 atoms in block 83
Block first atom: 6272
Blocpdb> 77 atoms in block 84
Block first atom: 6344
Blocpdb> 76 atoms in block 85
Block first atom: 6421
Blocpdb> 80 atoms in block 86
Block first atom: 6497
Blocpdb> 65 atoms in block 87
Block first atom: 6577
Blocpdb> 78 atoms in block 88
Block first atom: 6642
Blocpdb> 79 atoms in block 89
Block first atom: 6720
Blocpdb> 77 atoms in block 90
Block first atom: 6799
Blocpdb> 76 atoms in block 91
Block first atom: 6876
Blocpdb> 70 atoms in block 92
Block first atom: 6952
Blocpdb> 78 atoms in block 93
Block first atom: 7022
Blocpdb> 69 atoms in block 94
Block first atom: 7100
Blocpdb> 72 atoms in block 95
Block first atom: 7169
Blocpdb> 88 atoms in block 96
Block first atom: 7241
Blocpdb> 82 atoms in block 97
Block first atom: 7329
Blocpdb> 79 atoms in block 98
Block first atom: 7411
Blocpdb> 90 atoms in block 99
Block first atom: 7490
Blocpdb> 84 atoms in block 100
Block first atom: 7580
Blocpdb> 87 atoms in block 101
Block first atom: 7664
Blocpdb> 68 atoms in block 102
Block first atom: 7751
Blocpdb> 89 atoms in block 103
Block first atom: 7819
Blocpdb> 81 atoms in block 104
Block first atom: 7908
Blocpdb> 90 atoms in block 105
Block first atom: 7989
Blocpdb> 22 atoms in block 106
Block first atom: 8079
Blocpdb> 80 atoms in block 107
Block first atom: 8101
Blocpdb> 76 atoms in block 108
Block first atom: 8181
Blocpdb> 56 atoms in block 109
Block first atom: 8257
Blocpdb> 85 atoms in block 110
Block first atom: 8313
Blocpdb> 83 atoms in block 111
Block first atom: 8398
Blocpdb> 70 atoms in block 112
Block first atom: 8481
Blocpdb> 85 atoms in block 113
Block first atom: 8551
Blocpdb> 28 atoms in block 114
Block first atom: 8636
Blocpdb> 89 atoms in block 115
Block first atom: 8664
Blocpdb> 86 atoms in block 116
Block first atom: 8753
Blocpdb> 77 atoms in block 117
Block first atom: 8839
Blocpdb> 86 atoms in block 118
Block first atom: 8916
Blocpdb> 71 atoms in block 119
Block first atom: 9002
Blocpdb> 82 atoms in block 120
Block first atom: 9073
Blocpdb> 81 atoms in block 121
Block first atom: 9155
Blocpdb> 85 atoms in block 122
Block first atom: 9236
Blocpdb> 73 atoms in block 123
Block first atom: 9321
Blocpdb> 82 atoms in block 124
Block first atom: 9394
Blocpdb> 60 atoms in block 125
Block first atom: 9476
Blocpdb> 71 atoms in block 126
Block first atom: 9536
Blocpdb> 82 atoms in block 127
Block first atom: 9607
Blocpdb> 82 atoms in block 128
Block first atom: 9689
Blocpdb> 85 atoms in block 129
Block first atom: 9771
Blocpdb> 72 atoms in block 130
Block first atom: 9856
Blocpdb> 77 atoms in block 131
Block first atom: 9928
Blocpdb> 76 atoms in block 132
Block first atom: 10005
Blocpdb> 80 atoms in block 133
Block first atom: 10081
Blocpdb> 65 atoms in block 134
Block first atom: 10161
Blocpdb> 78 atoms in block 135
Block first atom: 10226
Blocpdb> 79 atoms in block 136
Block first atom: 10304
Blocpdb> 77 atoms in block 137
Block first atom: 10383
Blocpdb> 76 atoms in block 138
Block first atom: 10460
Blocpdb> 70 atoms in block 139
Block first atom: 10536
Blocpdb> 78 atoms in block 140
Block first atom: 10606
Blocpdb> 69 atoms in block 141
Block first atom: 10684
Blocpdb> 72 atoms in block 142
Block first atom: 10753
Blocpdb> 88 atoms in block 143
Block first atom: 10825
Blocpdb> 82 atoms in block 144
Block first atom: 10913
Blocpdb> 79 atoms in block 145
Block first atom: 10995
Blocpdb> 90 atoms in block 146
Block first atom: 11074
Blocpdb> 84 atoms in block 147
Block first atom: 11164
Blocpdb> 87 atoms in block 148
Block first atom: 11248
Blocpdb> 68 atoms in block 149
Block first atom: 11335
Blocpdb> 89 atoms in block 150
Block first atom: 11403
Blocpdb> 81 atoms in block 151
Block first atom: 11492
Blocpdb> 90 atoms in block 152
Block first atom: 11573
Blocpdb> 22 atoms in block 153
Block first atom: 11663
Blocpdb> 80 atoms in block 154
Block first atom: 11685
Blocpdb> 76 atoms in block 155
Block first atom: 11765
Blocpdb> 56 atoms in block 156
Block first atom: 11841
Blocpdb> 85 atoms in block 157
Block first atom: 11897
Blocpdb> 83 atoms in block 158
Block first atom: 11982
Blocpdb> 70 atoms in block 159
Block first atom: 12065
Blocpdb> 85 atoms in block 160
Block first atom: 12135
Blocpdb> 28 atoms in block 161
Block first atom: 12220
Blocpdb> 89 atoms in block 162
Block first atom: 12248
Blocpdb> 86 atoms in block 163
Block first atom: 12337
Blocpdb> 77 atoms in block 164
Block first atom: 12423
Blocpdb> 86 atoms in block 165
Block first atom: 12500
Blocpdb> 71 atoms in block 166
Block first atom: 12586
Blocpdb> 82 atoms in block 167
Block first atom: 12657
Blocpdb> 81 atoms in block 168
Block first atom: 12739
Blocpdb> 85 atoms in block 169
Block first atom: 12820
Blocpdb> 73 atoms in block 170
Block first atom: 12905
Blocpdb> 82 atoms in block 171
Block first atom: 12978
Blocpdb> 60 atoms in block 172
Block first atom: 13060
Blocpdb> 71 atoms in block 173
Block first atom: 13120
Blocpdb> 82 atoms in block 174
Block first atom: 13191
Blocpdb> 82 atoms in block 175
Block first atom: 13273
Blocpdb> 85 atoms in block 176
Block first atom: 13355
Blocpdb> 72 atoms in block 177
Block first atom: 13440
Blocpdb> 77 atoms in block 178
Block first atom: 13512
Blocpdb> 76 atoms in block 179
Block first atom: 13589
Blocpdb> 80 atoms in block 180
Block first atom: 13665
Blocpdb> 65 atoms in block 181
Block first atom: 13745
Blocpdb> 78 atoms in block 182
Block first atom: 13810
Blocpdb> 79 atoms in block 183
Block first atom: 13888
Blocpdb> 77 atoms in block 184
Block first atom: 13967
Blocpdb> 76 atoms in block 185
Block first atom: 14044
Blocpdb> 70 atoms in block 186
Block first atom: 14120
Blocpdb> 78 atoms in block 187
Block first atom: 14190
Blocpdb> 69 atoms in block 188
Block first atom: 14267
Blocpdb> 188 blocks.
Blocpdb> At most, 90 atoms in each of them.
Blocpdb> At least, 22 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> 4601953 matrix lines read.
Prepmat> Matrix order = 43008
Prepmat> Matrix trace = 10036820.0000
Prepmat> Last element read: 43008 43008 25.1773
Prepmat> 17767 lines saved.
Prepmat> 16736 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: 14336
RTB> Total mass = 14336.0000
RTB> Number of atoms found in matrix: 14336
RTB> Number of blocks = 188
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 121243.1875
RTB> 34260 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 = 1128
Diagstd> Nb of non-zero elements: 34260
Diagstd> Projected matrix trace = 121243.1875
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1128 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 121243.1875
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0004234 0.0004882 0.0004883 0.0006069
0.0009931 0.0010803 0.0010805 0.0010908 0.0016856
0.0016942 0.0016943 0.0018391 0.0019786 0.0024363
0.0024382 0.0026884 0.0047360 0.0047911 0.0049003
0.0049098 0.0095028 0.0101685 0.0102051 0.0117301
0.0199918 0.0209041 0.0209302 0.0217104 0.0621146
0.0629942 0.0630913 0.0637814 0.0758130 0.0778334
0.0782997 0.0783613 0.0957164 0.0993514 0.0994536
0.0995359 0.1421505 0.1434069 0.1487807 0.1503714
0.1590156 0.1606278 0.1637999 0.1650671 0.2427530
0.2537409 0.2627680 0.2634171 0.3376266 0.3683277
0.3696034 0.3709913 0.3929116 0.4452112 0.4532616
0.4540237 0.4581971 0.5172696 0.5178327 0.5811005
0.5814461 0.5815709 0.5855037 0.7264532 0.7265818
0.7422613 0.7679650 0.7962918 0.8950689 0.8958013
1.1829672 1.2430103 1.3350713 1.3570800 1.3578958
1.3737969 1.3816772 1.3944585 1.3957638 1.4036064
1.4092694 1.4122407 1.4200238 1.5394387 1.5575405
1.5607208 1.6120331 1.6121030 1.7799387 1.8546305
1.8573891 1.8724431 1.9123426 1.9460388 1.9493356
2.0148985
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034336 0.0034339 0.0034339 0.0034340 0.0034340
0.0034341 2.2343985 2.3994115 2.3996783 2.6750944
3.4221009 3.5691879 3.5695276 3.5864028 4.4583412
4.4696510 4.4697858 4.6568570 4.8302788 5.3599356
5.3620179 5.6304067 7.4730880 7.5164304 7.6015920
7.6089816 10.5857636 10.9502560 10.9699192 11.7610624
15.3539904 15.7003981 15.7102093 16.0003508 27.0640066
27.2549501 27.2759476 27.4247258 29.8997229 30.2955099
30.3861292 30.3980695 33.5960677 34.2280672 34.2456582
34.2598288 40.9420450 41.1225779 41.8859762 42.1092938
43.3027175 43.5216846 43.9493145 44.1189861 53.5029267
54.7003987 55.6649146 55.7336215 63.0977129 65.9041094
66.0181355 66.1419768 68.0679535 72.4566649 73.1088114
73.1702483 73.5057731 78.1004872 78.1429915 82.7791371
82.8037535 82.8126380 83.0921695 92.5548353 92.5630269
93.5564372 95.1625315 96.9017040 102.7362041 102.7782254
118.1086294 121.0689138 125.4722003 126.5021793 126.5401938
127.2789369 127.6434617 128.2324889 128.2924950 128.6524193
128.9116876 129.0475125 129.4026255 134.7337746 135.5236090
135.6618991 137.8739632 137.8769522 144.8764519 147.8849517
147.9948932 148.5934261 150.1682530 151.4854889 151.6137479
154.1423109
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 14336
Rtb_to_modes> Number of blocs = 188
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: 9.9979E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.2338E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.8822E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.8833E-04
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.0686E-04
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.9310E-04
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.0803E-03
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.0805E-03
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.0908E-03
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.6856E-03
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.6942E-03
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.6943E-03
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.8391E-03
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.9786E-03
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.4363E-03
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.4382E-03
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.6884E-03
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.7360E-03
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.7911E-03
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.9003E-03
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.9098E-03
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.5028E-03
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.0169E-02
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.0205E-02
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.1730E-02
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.9992E-02
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.0904E-02
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.0930E-02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.1710E-02
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 6.2115E-02
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.2994E-02
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.3091E-02
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 6.3781E-02
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.5813E-02
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.7833E-02
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.8300E-02
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 7.8361E-02
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 9.5716E-02
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.9351E-02
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.9454E-02
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.9536E-02
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 0.1422
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 0.1434
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 0.1488
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 0.1504
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 0.1590
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 0.1606
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 0.1638
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 0.1651
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 0.2428
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 0.2537
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 0.2628
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 0.2634
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 0.3376
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 0.3683
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 0.3696
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 0.3710
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 0.3929
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 0.4452
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 0.4533
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 0.4540
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 0.4582
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 0.5173
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 0.5178
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 0.5811
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 0.5814
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 0.5816
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 0.5855
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 0.7265
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 0.7266
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 0.7423
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 0.7680
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 0.7963
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 0.8951
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 0.8958
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 1.183
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 1.243
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 1.335
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 1.357
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 1.358
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 1.374
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 1.382
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 1.394
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 1.396
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 1.404
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 1.409
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 1.412
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 1.420
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 1.539
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 1.558
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 1.561
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 1.612
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 1.612
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 1.780
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 1.855
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 1.857
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 1.872
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 1.912
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 1.946
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 1.949
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 2.015
Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 0.99998 0.99999
1.00002 0.99999 1.00000 0.99999 1.00001
0.99998 1.00001 1.00002 0.99998 1.00004
1.00000 0.99998 1.00002 1.00000 0.99999
1.00001 1.00001 1.00002 0.99997 0.99999
1.00001 1.00005 0.99999 0.99999 0.99997
0.99998 1.00005 1.00003 1.00000 0.99995
0.99998 1.00002 1.00005 1.00002 0.99999
1.00000 0.99995 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 0.99998 1.00002
1.00003 1.00001 1.00000 0.99998 1.00000
0.99996 0.99996 1.00002 1.00001 0.99999
1.00000 1.00000 0.99998 1.00000 1.00004
1.00000 1.00000 1.00003 1.00000 0.99999
1.00001 1.00001 0.99998 1.00000 1.00000
0.99999 1.00004 1.00003 0.99994 1.00004
0.99998 1.00004 0.99999 1.00004 1.00001
0.99995 1.00000 0.99999 1.00001 0.99999
1.00000 0.99999 0.99997 1.00000 1.00001
0.99999 0.99999 1.00002 1.00000 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 258048 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 0.99998 0.99999
1.00002 0.99999 1.00000 0.99999 1.00001
0.99998 1.00001 1.00002 0.99998 1.00004
1.00000 0.99998 1.00002 1.00000 0.99999
1.00001 1.00001 1.00002 0.99997 0.99999
1.00001 1.00005 0.99999 0.99999 0.99997
0.99998 1.00005 1.00003 1.00000 0.99995
0.99998 1.00002 1.00005 1.00002 0.99999
1.00000 0.99995 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 0.99998 1.00002
1.00003 1.00001 1.00000 0.99998 1.00000
0.99996 0.99996 1.00002 1.00001 0.99999
1.00000 1.00000 0.99998 1.00000 1.00004
1.00000 1.00000 1.00003 1.00000 0.99999
1.00001 1.00001 0.99998 1.00000 1.00000
0.99999 1.00004 1.00003 0.99994 1.00004
0.99998 1.00004 0.99999 1.00004 1.00001
0.99995 1.00000 0.99999 1.00001 0.99999
1.00000 0.99999 0.99997 1.00000 1.00001
0.99999 0.99999 1.00002 1.00000 0.99999
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> 2404241836012300378.eigenfacs
Openam> file on opening on unit 10:
2404241836012300378.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404241836012300378.atom
Openam> file on opening on unit 11:
2404241836012300378.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 = 1800
First residue number = 7
Last residue number = 585
Number of atoms found = 14336
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.2338E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8822E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8833E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0686E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9310E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0803E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0805E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0908E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6856E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6942E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6943E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8391E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9786E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.4363E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.4382E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.6884E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7360E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7911E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9003E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9098E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5028E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0169E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0205E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1730E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9992E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0904E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0930E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1710E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2115E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2994E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3091E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3781E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.5813E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7833E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8300E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8361E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5716E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9351E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9454E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9536E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 1.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 1.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 1.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 1.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 1.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 1.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 1.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 1.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 1.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 1.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 1.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 1.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 1.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 1.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 1.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 1.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 1.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 1.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 1.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 1.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 1.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 1.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 1.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 1.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 1.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 2.015
Bfactors> 106 vectors, 43008 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.000423
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 19.814 +/- 48.54
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -19.814
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404241836012300378 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=0
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=100
2404241836012300378.eigenfacs
2404241836012300378.atom
making animated gifs
11 models are in 2404241836012300378.7.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 2404241836012300378.7.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 2404241836012300378.7.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 2404241836012300378 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=0
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=100
2404241836012300378.eigenfacs
2404241836012300378.atom
making animated gifs
11 models are in 2404241836012300378.8.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 2404241836012300378.8.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 2404241836012300378.8.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 2404241836012300378 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=0
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=100
2404241836012300378.eigenfacs
2404241836012300378.atom
making animated gifs
11 models are in 2404241836012300378.9.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 2404241836012300378.9.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 2404241836012300378.9.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 2404241836012300378 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=0
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=100
2404241836012300378.eigenfacs
2404241836012300378.atom
making animated gifs
11 models are in 2404241836012300378.10.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 2404241836012300378.10.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 2404241836012300378.10.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 2404241836012300378 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=-20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=0
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=20
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=40
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=60
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=80
2404241836012300378.eigenfacs
2404241836012300378.atom
calculating perturbed structure for DQ=100
2404241836012300378.eigenfacs
2404241836012300378.atom
making animated gifs
11 models are in 2404241836012300378.11.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 2404241836012300378.11.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 2404241836012300378.11.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
2404241836012300378.10.pdb
2404241836012300378.11.pdb
2404241836012300378.7.pdb
2404241836012300378.8.pdb
2404241836012300378.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m26.230s
user 1m26.009s
sys 0m0.196s
../../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: 2404241836012300378.Chkmod.res: No such file or directory
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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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