*** ***
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 = 24010714395171636.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 24010714395171636.atom to be opened.
Openam> File opened: 24010714395171636.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 = 565
First residue number = 95
Last residue number = 659
Number of atoms found = 4478
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 174.765782 +/- 10.783399 From: 150.679000 To: 208.150000
= 179.709649 +/- 11.890109 From: 152.987000 To: 209.651000
= 132.787851 +/- 22.020544 From: 88.382000 To: 188.557000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.7678 % Filled.
Pdbmat> 1595325 non-zero elements.
Pdbmat> 174318 atom-atom interactions.
Pdbmat> Number per atom= 77.86 +/- 21.58
Maximum number = 128
Minimum number = 8
Pdbmat> Matrix trace = 3.486360E+06
Pdbmat> Larger element = 513.287
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
565 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 = 24010714395171636.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 24010714395171636.atom to be opened.
Openam> file on opening on unit 11:
24010714395171636.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4478 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> 565 residues.
Blocpdb> 24 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 25
Blocpdb> 24 atoms in block 3
Block first atom: 49
Blocpdb> 32 atoms in block 4
Block first atom: 73
Blocpdb> 21 atoms in block 5
Block first atom: 105
Blocpdb> 28 atoms in block 6
Block first atom: 126
Blocpdb> 21 atoms in block 7
Block first atom: 154
Blocpdb> 20 atoms in block 8
Block first atom: 175
Blocpdb> 25 atoms in block 9
Block first atom: 195
Blocpdb> 22 atoms in block 10
Block first atom: 220
Blocpdb> 28 atoms in block 11
Block first atom: 242
Blocpdb> 27 atoms in block 12
Block first atom: 270
Blocpdb> 34 atoms in block 13
Block first atom: 297
Blocpdb> 22 atoms in block 14
Block first atom: 331
Blocpdb> 14 atoms in block 15
Block first atom: 353
Blocpdb> 22 atoms in block 16
Block first atom: 367
Blocpdb> 25 atoms in block 17
Block first atom: 389
Blocpdb> 27 atoms in block 18
Block first atom: 414
Blocpdb> 27 atoms in block 19
Block first atom: 441
Blocpdb> 18 atoms in block 20
Block first atom: 468
Blocpdb> 23 atoms in block 21
Block first atom: 486
Blocpdb> 28 atoms in block 22
Block first atom: 509
Blocpdb> 18 atoms in block 23
Block first atom: 537
Blocpdb> 19 atoms in block 24
Block first atom: 555
Blocpdb> 28 atoms in block 25
Block first atom: 574
Blocpdb> 16 atoms in block 26
Block first atom: 602
Blocpdb> 25 atoms in block 27
Block first atom: 618
Blocpdb> 25 atoms in block 28
Block first atom: 643
Blocpdb> 26 atoms in block 29
Block first atom: 668
Blocpdb> 16 atoms in block 30
Block first atom: 694
Blocpdb> 23 atoms in block 31
Block first atom: 710
Blocpdb> 23 atoms in block 32
Block first atom: 733
Blocpdb> 21 atoms in block 33
Block first atom: 756
Blocpdb> 27 atoms in block 34
Block first atom: 777
Blocpdb> 24 atoms in block 35
Block first atom: 804
Blocpdb> 26 atoms in block 36
Block first atom: 828
Blocpdb> 21 atoms in block 37
Block first atom: 854
Blocpdb> 30 atoms in block 38
Block first atom: 875
Blocpdb> 31 atoms in block 39
Block first atom: 905
Blocpdb> 21 atoms in block 40
Block first atom: 936
Blocpdb> 31 atoms in block 41
Block first atom: 957
Blocpdb> 21 atoms in block 42
Block first atom: 988
Blocpdb> 32 atoms in block 43
Block first atom: 1009
Blocpdb> 21 atoms in block 44
Block first atom: 1041
Blocpdb> 23 atoms in block 45
Block first atom: 1062
Blocpdb> 16 atoms in block 46
Block first atom: 1085
Blocpdb> 26 atoms in block 47
Block first atom: 1101
Blocpdb> 24 atoms in block 48
Block first atom: 1127
Blocpdb> 25 atoms in block 49
Block first atom: 1151
Blocpdb> 21 atoms in block 50
Block first atom: 1176
Blocpdb> 37 atoms in block 51
Block first atom: 1197
Blocpdb> 30 atoms in block 52
Block first atom: 1234
Blocpdb> 22 atoms in block 53
Block first atom: 1264
Blocpdb> 19 atoms in block 54
Block first atom: 1286
Blocpdb> 28 atoms in block 55
Block first atom: 1305
Blocpdb> 16 atoms in block 56
Block first atom: 1333
Blocpdb> 20 atoms in block 57
Block first atom: 1349
Blocpdb> 26 atoms in block 58
Block first atom: 1369
Blocpdb> 22 atoms in block 59
Block first atom: 1395
Blocpdb> 30 atoms in block 60
Block first atom: 1417
Blocpdb> 26 atoms in block 61
Block first atom: 1447
Blocpdb> 19 atoms in block 62
Block first atom: 1473
Blocpdb> 24 atoms in block 63
Block first atom: 1492
Blocpdb> 20 atoms in block 64
Block first atom: 1516
Blocpdb> 23 atoms in block 65
Block first atom: 1536
Blocpdb> 20 atoms in block 66
Block first atom: 1559
Blocpdb> 27 atoms in block 67
Block first atom: 1579
Blocpdb> 22 atoms in block 68
Block first atom: 1606
Blocpdb> 23 atoms in block 69
Block first atom: 1628
Blocpdb> 25 atoms in block 70
Block first atom: 1651
Blocpdb> 19 atoms in block 71
Block first atom: 1676
Blocpdb> 30 atoms in block 72
Block first atom: 1695
Blocpdb> 26 atoms in block 73
Block first atom: 1725
Blocpdb> 25 atoms in block 74
Block first atom: 1751
Blocpdb> 18 atoms in block 75
Block first atom: 1776
Blocpdb> 23 atoms in block 76
Block first atom: 1794
Blocpdb> 26 atoms in block 77
Block first atom: 1817
Blocpdb> 19 atoms in block 78
Block first atom: 1843
Blocpdb> 23 atoms in block 79
Block first atom: 1862
Blocpdb> 27 atoms in block 80
Block first atom: 1885
Blocpdb> 22 atoms in block 81
Block first atom: 1912
Blocpdb> 27 atoms in block 82
Block first atom: 1934
Blocpdb> 17 atoms in block 83
Block first atom: 1961
Blocpdb> 20 atoms in block 84
Block first atom: 1978
Blocpdb> 22 atoms in block 85
Block first atom: 1998
Blocpdb> 19 atoms in block 86
Block first atom: 2020
Blocpdb> 16 atoms in block 87
Block first atom: 2039
Blocpdb> 18 atoms in block 88
Block first atom: 2055
Blocpdb> 19 atoms in block 89
Block first atom: 2073
Blocpdb> 26 atoms in block 90
Block first atom: 2092
Blocpdb> 22 atoms in block 91
Block first atom: 2118
Blocpdb> 22 atoms in block 92
Block first atom: 2140
Blocpdb> 22 atoms in block 93
Block first atom: 2162
Blocpdb> 24 atoms in block 94
Block first atom: 2184
Blocpdb> 20 atoms in block 95
Block first atom: 2208
Blocpdb> 24 atoms in block 96
Block first atom: 2228
Blocpdb> 23 atoms in block 97
Block first atom: 2252
Blocpdb> 26 atoms in block 98
Block first atom: 2275
Blocpdb> 24 atoms in block 99
Block first atom: 2301
Blocpdb> 25 atoms in block 100
Block first atom: 2325
Blocpdb> 19 atoms in block 101
Block first atom: 2350
Blocpdb> 30 atoms in block 102
Block first atom: 2369
Blocpdb> 22 atoms in block 103
Block first atom: 2399
Blocpdb> 28 atoms in block 104
Block first atom: 2421
Blocpdb> 21 atoms in block 105
Block first atom: 2449
Blocpdb> 24 atoms in block 106
Block first atom: 2470
Blocpdb> 25 atoms in block 107
Block first atom: 2494
Blocpdb> 25 atoms in block 108
Block first atom: 2519
Blocpdb> 24 atoms in block 109
Block first atom: 2544
Blocpdb> 21 atoms in block 110
Block first atom: 2568
Blocpdb> 22 atoms in block 111
Block first atom: 2589
Blocpdb> 21 atoms in block 112
Block first atom: 2611
Blocpdb> 22 atoms in block 113
Block first atom: 2632
Blocpdb> 28 atoms in block 114
Block first atom: 2654
Blocpdb> 22 atoms in block 115
Block first atom: 2682
Blocpdb> 26 atoms in block 116
Block first atom: 2704
Blocpdb> 27 atoms in block 117
Block first atom: 2730
Blocpdb> 18 atoms in block 118
Block first atom: 2757
Blocpdb> 24 atoms in block 119
Block first atom: 2775
Blocpdb> 27 atoms in block 120
Block first atom: 2799
Blocpdb> 21 atoms in block 121
Block first atom: 2826
Blocpdb> 28 atoms in block 122
Block first atom: 2847
Blocpdb> 23 atoms in block 123
Block first atom: 2875
Blocpdb> 22 atoms in block 124
Block first atom: 2898
Blocpdb> 25 atoms in block 125
Block first atom: 2920
Blocpdb> 28 atoms in block 126
Block first atom: 2945
Blocpdb> 20 atoms in block 127
Block first atom: 2973
Blocpdb> 20 atoms in block 128
Block first atom: 2993
Blocpdb> 27 atoms in block 129
Block first atom: 3013
Blocpdb> 25 atoms in block 130
Block first atom: 3040
Blocpdb> 21 atoms in block 131
Block first atom: 3065
Blocpdb> 25 atoms in block 132
Block first atom: 3086
Blocpdb> 22 atoms in block 133
Block first atom: 3111
Blocpdb> 24 atoms in block 134
Block first atom: 3133
Blocpdb> 31 atoms in block 135
Block first atom: 3157
Blocpdb> 30 atoms in block 136
Block first atom: 3188
Blocpdb> 24 atoms in block 137
Block first atom: 3218
Blocpdb> 21 atoms in block 138
Block first atom: 3242
Blocpdb> 18 atoms in block 139
Block first atom: 3263
Blocpdb> 19 atoms in block 140
Block first atom: 3281
Blocpdb> 20 atoms in block 141
Block first atom: 3300
Blocpdb> 21 atoms in block 142
Block first atom: 3320
Blocpdb> 22 atoms in block 143
Block first atom: 3341
Blocpdb> 25 atoms in block 144
Block first atom: 3363
Blocpdb> 24 atoms in block 145
Block first atom: 3388
Blocpdb> 33 atoms in block 146
Block first atom: 3412
Blocpdb> 26 atoms in block 147
Block first atom: 3445
Blocpdb> 25 atoms in block 148
Block first atom: 3471
Blocpdb> 19 atoms in block 149
Block first atom: 3496
Blocpdb> 26 atoms in block 150
Block first atom: 3515
Blocpdb> 27 atoms in block 151
Block first atom: 3541
Blocpdb> 17 atoms in block 152
Block first atom: 3568
Blocpdb> 30 atoms in block 153
Block first atom: 3585
Blocpdb> 25 atoms in block 154
Block first atom: 3615
Blocpdb> 16 atoms in block 155
Block first atom: 3640
Blocpdb> 31 atoms in block 156
Block first atom: 3656
Blocpdb> 27 atoms in block 157
Block first atom: 3687
Blocpdb> 26 atoms in block 158
Block first atom: 3714
Blocpdb> 29 atoms in block 159
Block first atom: 3740
Blocpdb> 26 atoms in block 160
Block first atom: 3769
Blocpdb> 22 atoms in block 161
Block first atom: 3795
Blocpdb> 25 atoms in block 162
Block first atom: 3817
Blocpdb> 24 atoms in block 163
Block first atom: 3842
Blocpdb> 18 atoms in block 164
Block first atom: 3866
Blocpdb> 31 atoms in block 165
Block first atom: 3884
Blocpdb> 20 atoms in block 166
Block first atom: 3915
Blocpdb> 30 atoms in block 167
Block first atom: 3935
Blocpdb> 21 atoms in block 168
Block first atom: 3965
Blocpdb> 23 atoms in block 169
Block first atom: 3986
Blocpdb> 22 atoms in block 170
Block first atom: 4009
Blocpdb> 21 atoms in block 171
Block first atom: 4031
Blocpdb> 26 atoms in block 172
Block first atom: 4052
Blocpdb> 26 atoms in block 173
Block first atom: 4078
Blocpdb> 31 atoms in block 174
Block first atom: 4104
Blocpdb> 21 atoms in block 175
Block first atom: 4135
Blocpdb> 22 atoms in block 176
Block first atom: 4156
Blocpdb> 24 atoms in block 177
Block first atom: 4178
Blocpdb> 25 atoms in block 178
Block first atom: 4202
Blocpdb> 23 atoms in block 179
Block first atom: 4227
Blocpdb> 24 atoms in block 180
Block first atom: 4250
Blocpdb> 24 atoms in block 181
Block first atom: 4274
Blocpdb> 27 atoms in block 182
Block first atom: 4298
Blocpdb> 28 atoms in block 183
Block first atom: 4325
Blocpdb> 20 atoms in block 184
Block first atom: 4353
Blocpdb> 20 atoms in block 185
Block first atom: 4373
Blocpdb> 24 atoms in block 186
Block first atom: 4393
Blocpdb> 24 atoms in block 187
Block first atom: 4417
Blocpdb> 29 atoms in block 188
Block first atom: 4441
Blocpdb> 9 atoms in block 189
Block first atom: 4469
Blocpdb> 189 blocks.
Blocpdb> At most, 37 atoms in each of them.
Blocpdb> At least, 9 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> 1595514 matrix lines read.
Prepmat> Matrix order = 13434
Prepmat> Matrix trace = 3486360.0000
Prepmat> Last element read: 13434 13434 239.2578
Prepmat> 17956 lines saved.
Prepmat> 16144 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: 4478
RTB> Total mass = 4478.0000
RTB> Number of atoms found in matrix: 4478
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 227484.1334
RTB> 62361 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 = 1134
Diagstd> Nb of non-zero elements: 62361
Diagstd> Projected matrix trace = 227484.1334
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 227484.1334
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 0.0775085 0.2380053 0.4132640 1.4849710
1.6498840 2.0480221 2.0887767 2.5351582 2.6799051
3.1483089 3.5895601 4.1418911 4.8619104 5.3147420
5.4584945 5.9652988 6.4064520 6.8905986 7.5580357
8.0507426 8.6404219 8.7948692 8.9399052 9.3919485
9.7603326 9.9741427 10.2183904 10.6660597 11.5530851
11.6283651 11.8385986 12.5509357 12.8128177 13.4426653
13.6010631 14.0701191 14.2053803 14.3709178 15.0052290
15.8416178 16.3483872 16.8494487 17.4712987 17.9477444
18.0879303 18.5137203 19.0177839 19.2448239 19.5320032
19.9613014 20.9055713 21.2918171 21.6952752 22.3279292
22.4981539 23.0266903 24.0333122 24.2881322 24.5197280
24.9265437 25.1420513 25.7680787 26.0740507 26.5770862
26.7379234 27.4657441 27.9505988 28.5807218 28.9972188
29.3870699 29.7425531 29.7730951 30.4590934 30.7344274
30.9462761 31.6410067 31.8139771 32.4270250 32.8971414
32.9540138 33.4141303 34.0643166 34.6315002 34.6920116
34.9778504 35.3029451 35.8481165 36.0973051 36.1812047
37.4357822 37.7213753 38.3802495 38.6508977 39.1244527
39.3795123 39.5678965 40.2959388 40.6307179 40.8815731
41.5473159
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034326 0.0034328 0.0034330 0.0034338
0.0034339 30.2322043 52.9771450 69.8086189 132.3287659
139.4832273 155.4041460 156.9427619 172.9011222 177.7685733
192.6788078 205.7386537 221.0011929 239.4411306 250.3435301
253.7065724 265.2231202 274.8552704 285.0517791 298.5380906
308.1152902 319.1999058 322.0401143 324.6846355 332.7921953
339.2560404 342.9517863 347.1255052 354.6478117 369.1001888
370.3007650 373.6331728 384.7098740 388.7027412 398.1419814
400.4808080 407.3279077 409.2811208 411.6589220 420.6458361
432.2102336 439.0689615 445.7466917 453.8975881 460.0448982
461.8380579 467.2422745 473.5602426 476.3786083 479.9198063
485.1652719 496.5080577 501.0737404 505.7988779 513.1206628
515.0729253 521.0879618 532.3559280 535.1707139 537.7161794
542.1585507 544.4971794 551.2343835 554.4974243 559.8207125
561.5120983 569.1031182 574.1043518 580.5396366 584.7543391
588.6720593 592.2218182 592.5258104 599.3130944 602.0157356
604.0869840 610.8300954 612.4974182 618.3706000 622.8369379
623.3750837 627.7118990 633.7896174 639.0442520 639.6023073
642.2318482 645.2094940 650.1722830 652.4281190 653.1858859
664.4139406 666.9434929 672.7429841 675.1108271 679.2340014
681.4444314 683.0724380 689.3279994 692.1855496 694.3190477
699.9495942
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4478
Rtb_to_modes> Number of blocs = 189
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: 9.9878E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9921E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9935E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9943E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.7508E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2380
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4133
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.485
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.650
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.048
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.089
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.535
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.680
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.148
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.590
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.142
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.862
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.315
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.458
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.965
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.406
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.891
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.558
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.051
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.640
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.795
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.940
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 9.392
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.760
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.974
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 10.22
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 11.55
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 11.63
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 12.55
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 13.60
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 14.07
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 14.21
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 14.37
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 15.01
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.84
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 16.35
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 16.85
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 17.47
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 17.95
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 18.51
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 19.02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 19.24
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.53
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.96
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 20.91
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 21.29
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 21.70
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 22.33
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 23.03
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 24.03
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 24.29
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 24.52
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 25.14
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 26.07
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 26.58
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 26.74
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 27.47
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 27.95
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 28.58
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 29.00
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 29.39
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.77
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 30.46
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.73
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 30.95
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 31.64
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.81
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 32.43
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 32.90
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 32.95
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.41
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 34.63
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.69
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 34.98
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.30
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.85
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 36.10
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.18
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 37.44
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 37.72
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 38.65
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.12
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.38
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 39.57
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.30
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 40.63
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 40.88
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 41.55
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00001 1.00001
1.00000 1.00000 1.00001 0.99996 1.00002
1.00001 1.00000 0.99997 0.99996 1.00002
1.00001 0.99995 1.00000 1.00001 1.00002
0.99999 1.00002 1.00003 1.00003 1.00002
0.99996 1.00003 1.00001 1.00005 0.99996
1.00001 1.00001 0.99998 0.99997 0.99998
1.00001 1.00001 1.00000 1.00001 1.00000
0.99998 0.99995 1.00002 0.99998 1.00002
0.99999 0.99999 1.00000 0.99998 1.00002
1.00001 0.99999 1.00000 1.00001 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
0.99998 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
1.00001 1.00001 1.00002 1.00004 1.00001
1.00002 1.00001 1.00000 1.00000 1.00002
1.00001 1.00001 1.00002 1.00001 1.00003
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 1.00001 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 80604 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00001 1.00001
1.00000 1.00000 1.00001 0.99996 1.00002
1.00001 1.00000 0.99997 0.99996 1.00002
1.00001 0.99995 1.00000 1.00001 1.00002
0.99999 1.00002 1.00003 1.00003 1.00002
0.99996 1.00003 1.00001 1.00005 0.99996
1.00001 1.00001 0.99998 0.99997 0.99998
1.00001 1.00001 1.00000 1.00001 1.00000
0.99998 0.99995 1.00002 0.99998 1.00002
0.99999 0.99999 1.00000 0.99998 1.00002
1.00001 0.99999 1.00000 1.00001 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
0.99999 1.00001 1.00000 0.99999 1.00001
0.99998 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
1.00001 1.00001 1.00002 1.00004 1.00001
1.00002 1.00001 1.00000 1.00000 1.00002
1.00001 1.00001 1.00002 1.00001 1.00003
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 1.00001 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 1.00002
0.99998
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> 24010714395171636.eigenfacs
Openam> file on opening on unit 10:
24010714395171636.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24010714395171636.atom
Openam> file on opening on unit 11:
24010714395171636.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 = 565
First residue number = 95
Last residue number = 659
Number of atoms found = 4478
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9878E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9921E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9935E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7508E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 14.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 16.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 16.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 18.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 19.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 21.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 21.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 22.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 23.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 24.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 24.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 24.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 25.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 26.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 26.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 26.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 27.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 27.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 28.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 29.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 29.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 29.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 30.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 30.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 31.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 32.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 32.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 32.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 34.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 34.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 36.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 37.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 37.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 38.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 39.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 40.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 40.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 41.55
Bfactors> 106 vectors, 13434 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 : 0.077508
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= -0.594 for 565 C-alpha atoms.
Bfactors> = 0.093 +/- 0.17
Bfactors> = 0.626 +/- 0.10
Bfactors> Shiftng-fct= 0.532
Bfactors> Scaling-fct= 0.601
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24010714395171636 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=0
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=100
24010714395171636.eigenfacs
24010714395171636.atom
making animated gifs
11 models are in 24010714395171636.7.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 24010714395171636.7.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 24010714395171636.7.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 24010714395171636 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=0
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=100
24010714395171636.eigenfacs
24010714395171636.atom
making animated gifs
11 models are in 24010714395171636.8.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 24010714395171636.8.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 24010714395171636.8.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 24010714395171636 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=0
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=100
24010714395171636.eigenfacs
24010714395171636.atom
making animated gifs
11 models are in 24010714395171636.9.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 24010714395171636.9.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 24010714395171636.9.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 24010714395171636 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=0
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=100
24010714395171636.eigenfacs
24010714395171636.atom
making animated gifs
11 models are in 24010714395171636.10.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 24010714395171636.10.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 24010714395171636.10.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 24010714395171636 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=-20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=0
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=20
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=40
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=60
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=80
24010714395171636.eigenfacs
24010714395171636.atom
calculating perturbed structure for DQ=100
24010714395171636.eigenfacs
24010714395171636.atom
making animated gifs
11 models are in 24010714395171636.11.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 24010714395171636.11.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 24010714395171636.11.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
24010714395171636.10.pdb
24010714395171636.11.pdb
24010714395171636.7.pdb
24010714395171636.8.pdb
24010714395171636.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m27.100s
user 0m27.016s
sys 0m0.084s
../../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: 24010714395171636.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.
|
