*** PlanNO.1model1-TLR2-model1 ***
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 = 2401150635161121573.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 2401150635161121573.atom to be opened.
Openam> File opened: 2401150635161121573.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 = 869
First residue number = 1
Last residue number = 320
Number of atoms found = 6767
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 22.832326 +/- 23.617692 From: -26.168000 To: 84.107000
= 1.639369 +/- 20.545061 From: -54.566000 To: 51.602000
= -4.404341 +/- 21.022040 From: -60.154000 To: 40.472000
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 1.0979 % Filled.
Pdbmat> 2262433 non-zero elements.
Pdbmat> 246904 atom-atom interactions.
Pdbmat> Number per atom= 72.97 +/- 24.68
Maximum number = 123
Minimum number = 8
Pdbmat> Matrix trace = 4.938080E+06
Pdbmat> Larger element = 491.170
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
869 non-zero elements, NRBL set to 5
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 = 2401150635161121573.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 2401150635161121573.atom to be opened.
Openam> file on opening on unit 11:
2401150635161121573.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6767 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 869 residues.
Blocpdb> 34 atoms in block 1
Block first atom: 1
Blocpdb> 28 atoms in block 2
Block first atom: 35
Blocpdb> 40 atoms in block 3
Block first atom: 63
Blocpdb> 38 atoms in block 4
Block first atom: 103
Blocpdb> 32 atoms in block 5
Block first atom: 141
Blocpdb> 33 atoms in block 6
Block first atom: 173
Blocpdb> 41 atoms in block 7
Block first atom: 206
Blocpdb> 44 atoms in block 8
Block first atom: 247
Blocpdb> 34 atoms in block 9
Block first atom: 291
Blocpdb> 35 atoms in block 10
Block first atom: 325
Blocpdb> 40 atoms in block 11
Block first atom: 360
Blocpdb> 37 atoms in block 12
Block first atom: 400
Blocpdb> 42 atoms in block 13
Block first atom: 437
Blocpdb> 37 atoms in block 14
Block first atom: 479
Blocpdb> 36 atoms in block 15
Block first atom: 516
Blocpdb> 43 atoms in block 16
Block first atom: 552
Blocpdb> 40 atoms in block 17
Block first atom: 595
Blocpdb> 34 atoms in block 18
Block first atom: 635
Blocpdb> 41 atoms in block 19
Block first atom: 669
Blocpdb> 35 atoms in block 20
Block first atom: 710
Blocpdb> 45 atoms in block 21
Block first atom: 745
Blocpdb> 39 atoms in block 22
Block first atom: 790
Blocpdb> 35 atoms in block 23
Block first atom: 829
Blocpdb> 39 atoms in block 24
Block first atom: 864
Blocpdb> 39 atoms in block 25
Block first atom: 903
Blocpdb> 43 atoms in block 26
Block first atom: 942
Blocpdb> 35 atoms in block 27
Block first atom: 985
Blocpdb> 45 atoms in block 28
Block first atom: 1020
Blocpdb> 43 atoms in block 29
Block first atom: 1065
Blocpdb> 33 atoms in block 30
Block first atom: 1108
Blocpdb> 42 atoms in block 31
Block first atom: 1141
Blocpdb> 36 atoms in block 32
Block first atom: 1183
Blocpdb> 46 atoms in block 33
Block first atom: 1219
Blocpdb> 38 atoms in block 34
Block first atom: 1265
Blocpdb> 45 atoms in block 35
Block first atom: 1303
Blocpdb> 43 atoms in block 36
Block first atom: 1348
Blocpdb> 34 atoms in block 37
Block first atom: 1391
Blocpdb> 44 atoms in block 38
Block first atom: 1425
Blocpdb> 40 atoms in block 39
Block first atom: 1469
Blocpdb> 42 atoms in block 40
Block first atom: 1509
Blocpdb> 44 atoms in block 41
Block first atom: 1551
Blocpdb> 39 atoms in block 42
Block first atom: 1595
Blocpdb> 44 atoms in block 43
Block first atom: 1634
Blocpdb> 39 atoms in block 44
Block first atom: 1678
Blocpdb> 34 atoms in block 45
Block first atom: 1717
Blocpdb> 42 atoms in block 46
Block first atom: 1751
Blocpdb> 36 atoms in block 47
Block first atom: 1793
Blocpdb> 41 atoms in block 48
Block first atom: 1829
Blocpdb> 42 atoms in block 49
Block first atom: 1870
Blocpdb> 47 atoms in block 50
Block first atom: 1912
Blocpdb> 40 atoms in block 51
Block first atom: 1959
Blocpdb> 43 atoms in block 52
Block first atom: 1999
Blocpdb> 33 atoms in block 53
Block first atom: 2042
Blocpdb> 39 atoms in block 54
Block first atom: 2075
Blocpdb> 36 atoms in block 55
Block first atom: 2114
Blocpdb> 37 atoms in block 56
Block first atom: 2150
Blocpdb> 36 atoms in block 57
Block first atom: 2187
Blocpdb> 44 atoms in block 58
Block first atom: 2223
Blocpdb> 42 atoms in block 59
Block first atom: 2267
Blocpdb> 54 atoms in block 60
Block first atom: 2309
Blocpdb> 36 atoms in block 61
Block first atom: 2363
Blocpdb> 43 atoms in block 62
Block first atom: 2399
Blocpdb> 44 atoms in block 63
Block first atom: 2442
Blocpdb> 37 atoms in block 64
Block first atom: 2486
Blocpdb> 42 atoms in block 65
Block first atom: 2523
Blocpdb> 36 atoms in block 66
Block first atom: 2565
Blocpdb> 42 atoms in block 67
Block first atom: 2601
Blocpdb> 44 atoms in block 68
Block first atom: 2643
Blocpdb> 39 atoms in block 69
Block first atom: 2687
Blocpdb> 45 atoms in block 70
Block first atom: 2726
Blocpdb> 36 atoms in block 71
Block first atom: 2771
Blocpdb> 38 atoms in block 72
Block first atom: 2807
Blocpdb> 37 atoms in block 73
Block first atom: 2845
Blocpdb> 38 atoms in block 74
Block first atom: 2882
Blocpdb> 43 atoms in block 75
Block first atom: 2920
Blocpdb> 37 atoms in block 76
Block first atom: 2963
Blocpdb> 40 atoms in block 77
Block first atom: 3000
Blocpdb> 40 atoms in block 78
Block first atom: 3040
Blocpdb> 36 atoms in block 79
Block first atom: 3080
Blocpdb> 47 atoms in block 80
Block first atom: 3116
Blocpdb> 36 atoms in block 81
Block first atom: 3163
Blocpdb> 45 atoms in block 82
Block first atom: 3199
Blocpdb> 47 atoms in block 83
Block first atom: 3244
Blocpdb> 35 atoms in block 84
Block first atom: 3291
Blocpdb> 37 atoms in block 85
Block first atom: 3326
Blocpdb> 37 atoms in block 86
Block first atom: 3363
Blocpdb> 40 atoms in block 87
Block first atom: 3400
Blocpdb> 37 atoms in block 88
Block first atom: 3440
Blocpdb> 38 atoms in block 89
Block first atom: 3477
Blocpdb> 44 atoms in block 90
Block first atom: 3515
Blocpdb> 44 atoms in block 91
Block first atom: 3559
Blocpdb> 45 atoms in block 92
Block first atom: 3603
Blocpdb> 41 atoms in block 93
Block first atom: 3648
Blocpdb> 34 atoms in block 94
Block first atom: 3689
Blocpdb> 41 atoms in block 95
Block first atom: 3723
Blocpdb> 40 atoms in block 96
Block first atom: 3764
Blocpdb> 42 atoms in block 97
Block first atom: 3804
Blocpdb> 37 atoms in block 98
Block first atom: 3846
Blocpdb> 42 atoms in block 99
Block first atom: 3883
Blocpdb> 38 atoms in block 100
Block first atom: 3925
Blocpdb> 49 atoms in block 101
Block first atom: 3963
Blocpdb> 44 atoms in block 102
Block first atom: 4012
Blocpdb> 36 atoms in block 103
Block first atom: 4056
Blocpdb> 42 atoms in block 104
Block first atom: 4092
Blocpdb> 50 atoms in block 105
Block first atom: 4134
Blocpdb> 41 atoms in block 106
Block first atom: 4184
Blocpdb> 33 atoms in block 107
Block first atom: 4225
Blocpdb> 26 atoms in block 108
Block first atom: 4258
Blocpdb> 40 atoms in block 109
Block first atom: 4284
Blocpdb> 29 atoms in block 110
Block first atom: 4324
Blocpdb> 36 atoms in block 111
Block first atom: 4353
Blocpdb> 40 atoms in block 112
Block first atom: 4389
Blocpdb> 37 atoms in block 113
Block first atom: 4429
Blocpdb> 27 atoms in block 114
Block first atom: 4466
Blocpdb> 34 atoms in block 115
Block first atom: 4493
Blocpdb> 36 atoms in block 116
Block first atom: 4527
Blocpdb> 39 atoms in block 117
Block first atom: 4563
Blocpdb> 45 atoms in block 118
Block first atom: 4602
Blocpdb> 42 atoms in block 119
Block first atom: 4647
Blocpdb> 42 atoms in block 120
Block first atom: 4689
Blocpdb> 40 atoms in block 121
Block first atom: 4731
Blocpdb> 43 atoms in block 122
Block first atom: 4771
Blocpdb> 41 atoms in block 123
Block first atom: 4814
Blocpdb> 42 atoms in block 124
Block first atom: 4855
Blocpdb> 48 atoms in block 125
Block first atom: 4897
Blocpdb> 38 atoms in block 126
Block first atom: 4945
Blocpdb> 39 atoms in block 127
Block first atom: 4983
Blocpdb> 38 atoms in block 128
Block first atom: 5022
Blocpdb> 41 atoms in block 129
Block first atom: 5060
Blocpdb> 41 atoms in block 130
Block first atom: 5101
Blocpdb> 34 atoms in block 131
Block first atom: 5142
Blocpdb> 47 atoms in block 132
Block first atom: 5176
Blocpdb> 41 atoms in block 133
Block first atom: 5223
Blocpdb> 36 atoms in block 134
Block first atom: 5264
Blocpdb> 37 atoms in block 135
Block first atom: 5300
Blocpdb> 36 atoms in block 136
Block first atom: 5337
Blocpdb> 42 atoms in block 137
Block first atom: 5373
Blocpdb> 31 atoms in block 138
Block first atom: 5415
Blocpdb> 38 atoms in block 139
Block first atom: 5446
Blocpdb> 36 atoms in block 140
Block first atom: 5484
Blocpdb> 34 atoms in block 141
Block first atom: 5520
Blocpdb> 36 atoms in block 142
Block first atom: 5554
Blocpdb> 35 atoms in block 143
Block first atom: 5590
Blocpdb> 33 atoms in block 144
Block first atom: 5625
Blocpdb> 35 atoms in block 145
Block first atom: 5658
Blocpdb> 35 atoms in block 146
Block first atom: 5693
Blocpdb> 33 atoms in block 147
Block first atom: 5728
Blocpdb> 35 atoms in block 148
Block first atom: 5761
Blocpdb> 33 atoms in block 149
Block first atom: 5796
Blocpdb> 41 atoms in block 150
Block first atom: 5829
Blocpdb> 29 atoms in block 151
Block first atom: 5870
Blocpdb> 37 atoms in block 152
Block first atom: 5899
Blocpdb> 43 atoms in block 153
Block first atom: 5936
Blocpdb> 25 atoms in block 154
Block first atom: 5979
Blocpdb> 32 atoms in block 155
Block first atom: 6004
Blocpdb> 37 atoms in block 156
Block first atom: 6036
Blocpdb> 36 atoms in block 157
Block first atom: 6073
Blocpdb> 39 atoms in block 158
Block first atom: 6109
Blocpdb> 31 atoms in block 159
Block first atom: 6148
Blocpdb> 35 atoms in block 160
Block first atom: 6179
Blocpdb> 42 atoms in block 161
Block first atom: 6214
Blocpdb> 42 atoms in block 162
Block first atom: 6256
Blocpdb> 34 atoms in block 163
Block first atom: 6298
Blocpdb> 40 atoms in block 164
Block first atom: 6332
Blocpdb> 42 atoms in block 165
Block first atom: 6372
Blocpdb> 33 atoms in block 166
Block first atom: 6414
Blocpdb> 47 atoms in block 167
Block first atom: 6447
Blocpdb> 26 atoms in block 168
Block first atom: 6494
Blocpdb> 46 atoms in block 169
Block first atom: 6520
Blocpdb> 45 atoms in block 170
Block first atom: 6566
Blocpdb> 44 atoms in block 171
Block first atom: 6611
Blocpdb> 43 atoms in block 172
Block first atom: 6655
Blocpdb> 38 atoms in block 173
Block first atom: 6698
Blocpdb> 32 atoms in block 174
Block first atom: 6735
Blocpdb> 174 blocks.
Blocpdb> At most, 54 atoms in each of them.
Blocpdb> At least, 25 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> 2262607 matrix lines read.
Prepmat> Matrix order = 20301
Prepmat> Matrix trace = 4938080.0000
Prepmat> Last element read: 20301 20301 195.7867
Prepmat> 15226 lines saved.
Prepmat> 14083 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: 6767
RTB> Total mass = 6767.0000
RTB> Number of atoms found in matrix: 6767
RTB> Number of blocks = 174
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 162504.6363
RTB> 38502 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 = 1044
Diagstd> Nb of non-zero elements: 38502
Diagstd> Projected matrix trace = 162504.6363
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1044 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 162504.6363
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 0.0016742 0.0025210 0.0041249 0.0049607
0.0101660 0.0132170 0.0186931 0.0309560 0.0369724
0.0587675 0.0761765 0.0962880 0.1064982 0.1086715
0.1155558 0.1425374 0.1620042 0.1763650 0.2032103
0.2207609 0.2592723 0.3104956 0.3618264 0.3842098
0.4350251 0.4492889 0.4828536 0.5112803 0.5840815
0.5986669 0.6702771 0.7100126 0.7653464 0.7907737
0.9032378 0.9659016 0.9929103 1.0619750 1.1415722
1.2058839 1.3192184 1.3287079 1.4084021 1.4720730
1.5239527 1.6406269 1.7042078 1.9037378 1.9845853
2.0720346 2.0885528 2.1698054 2.2577501 2.3438952
2.4410062 2.5580039 2.7289137 2.8626819 2.9485167
3.0435963 3.3134703 3.4688555 3.7006546 3.7535435
3.7954480 3.9631447 4.0624198 4.1585661 4.2332457
4.5964769 4.7456477 4.8721466 4.9653287 5.2144525
5.4738430 5.6065610 5.8248565 6.0272651 6.0481215
6.3173557 6.4190876 6.4659436 6.5540561 6.8734624
7.0097658 7.0419256 7.4351920 7.5714200 7.6720561
7.8448898 7.9879937 8.2269561 8.4496690 8.5226020
8.7109755 8.8625603 8.9037096 9.3937541 9.9478307
10.1401834
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034327 0.0034338 0.0034340 0.0034342
0.0034347 4.4432040 5.4522863 6.9742970 7.6483475
10.9488862 12.4842100 14.8468916 19.1059159 20.8801607
26.3247250 29.9713103 33.6962403 35.4377773 35.7975361
36.9139988 40.9977196 43.7077507 45.6038479 48.9517444
51.0218680 55.2934043 60.5094207 65.3198825 67.3099902
71.6229847 72.7877255 75.4576078 77.6470218 82.9911913
84.0210091 88.9042418 91.5015176 95.0001516 96.5653661
103.2039549 106.7239092 108.2057354 111.9057547 116.0237689
119.2471570 124.7250327 125.1728197 128.8720128 131.7528306
134.0543847 139.0913721 141.7609319 149.8300226 152.9784190
156.3125248 156.9343501 159.9578926 163.1673326 166.2510407
169.6601021 173.6784295 179.3866751 183.7307398 186.4648926
189.4474665 197.6682062 202.2499312 208.8981322 210.3855971
211.5567091 216.1798666 218.8707270 221.4456147 223.4251284
232.8133192 236.5609358 239.6930580 241.9743233 247.9702825
254.0630154 257.1245557 262.0824222 266.5971036 267.0579641
272.9373344 275.1261891 276.1285007 278.0035598 284.6971124
287.5060806 288.1648436 296.1020219 298.8023093 300.7815316
304.1506186 306.9121899 311.4690294 315.6567843 317.0161472
320.5004746 323.2770552 324.0266811 332.8241831 342.4991311
345.7945826
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6767
Rtb_to_modes> Number of blocs = 174
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: 9.9897E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.6742E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.5210E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.1249E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.9607E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.0166E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.3217E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.8693E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.0956E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.6972E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.8767E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.6176E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.6288E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.1065
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.1087
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.1156
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.1425
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1620
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1764
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.2032
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.2208
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.2593
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.3105
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.3618
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.3842
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.4350
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.4493
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.4829
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.5113
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.5841
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.5987
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.6703
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.7100
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.7653
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.7908
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.9032
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.9659
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 0.9929
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.062
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.142
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 1.206
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 1.319
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 1.329
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.408
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 1.472
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 1.524
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.641
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 1.704
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 1.904
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 1.985
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.072
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 2.089
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 2.170
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 2.258
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 2.344
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 2.441
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 2.558
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 2.729
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 2.863
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 2.949
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 3.044
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 3.313
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 3.469
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 3.701
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 3.754
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 3.795
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 3.963
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 4.062
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 4.159
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 4.233
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 4.596
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 4.746
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 4.872
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 4.965
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 5.214
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 5.474
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 5.607
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 5.825
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 6.027
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 6.048
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 6.317
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 6.419
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 6.466
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 6.554
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 6.873
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 7.010
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 7.042
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 7.435
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 7.571
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 7.672
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 7.845
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 7.988
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 8.227
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 8.450
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 8.523
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 8.711
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 8.863
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 8.904
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 9.394
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 9.948
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 10.14
Rtb_to_modes> 106 vectors, with 1044 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 1.00002 1.00000 1.00001
1.00002 0.99999 1.00004 1.00000 1.00000
1.00000 0.99997 1.00003 0.99996 1.00001
1.00003 1.00000 1.00004 1.00002 1.00001
0.99999 1.00001 1.00000 1.00000 1.00002
1.00000 1.00003 1.00000 1.00003 1.00000
1.00001 1.00001 1.00000 1.00003 0.99997
1.00001 1.00000 1.00001 1.00000 0.99999
1.00001 1.00003 0.99999 0.99999 1.00000
0.99997 1.00000 0.99998 0.99998 1.00001
0.99999 0.99999 1.00005 1.00002 1.00000
0.99996 1.00000 1.00000 1.00002 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
1.00002 0.99998 1.00001 0.99999 1.00003
1.00003 1.00001 1.00000 1.00000 1.00001
1.00001 1.00000 0.99999 0.99998 1.00000
0.99997 1.00000 0.99997 0.99999 0.99999
1.00000 0.99999 1.00002 1.00001 1.00001
1.00000 1.00000 1.00003 0.99998 0.99998
1.00004 0.99999 1.00002 1.00001 0.99998
1.00000 1.00003 1.00001 0.99999 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 121806 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 1.00002 1.00000 1.00001
1.00002 0.99999 1.00004 1.00000 1.00000
1.00000 0.99997 1.00003 0.99996 1.00001
1.00003 1.00000 1.00004 1.00002 1.00001
0.99999 1.00001 1.00000 1.00000 1.00002
1.00000 1.00003 1.00000 1.00003 1.00000
1.00001 1.00001 1.00000 1.00003 0.99997
1.00001 1.00000 1.00001 1.00000 0.99999
1.00001 1.00003 0.99999 0.99999 1.00000
0.99997 1.00000 0.99998 0.99998 1.00001
0.99999 0.99999 1.00005 1.00002 1.00000
0.99996 1.00000 1.00000 1.00002 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
1.00002 0.99998 1.00001 0.99999 1.00003
1.00003 1.00001 1.00000 1.00000 1.00001
1.00001 1.00000 0.99999 0.99998 1.00000
0.99997 1.00000 0.99997 0.99999 0.99999
1.00000 0.99999 1.00002 1.00001 1.00001
1.00000 1.00000 1.00003 0.99998 0.99998
1.00004 0.99999 1.00002 1.00001 0.99998
1.00000 1.00003 1.00001 0.99999 1.00000
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000 0.000-0.000-0.000-0.000
Vector 7:-0.000-0.000-0.000-0.000 0.000 0.000
Vector 8:-0.000-0.000 0.000 0.000 0.000-0.000 0.000
Vector 9: 0.000-0.000-0.000 0.000 0.000-0.000 0.000 0.000
Vector 10: 0.000-0.000-0.000 0.000 0.000-0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401150635161121573.eigenfacs
Openam> file on opening on unit 10:
2401150635161121573.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150635161121573.atom
Openam> file on opening on unit 11:
2401150635161121573.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 = 869
First residue number = 1
Last residue number = 320
Number of atoms found = 6767
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-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: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6742E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5210E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.1249E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9607E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0166E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3217E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8693E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0956E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.6972E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8767E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6176E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6288E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 1.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 1.985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.754
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 6.027
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 6.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 6.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 6.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 6.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 6.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 6.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 7.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 7.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 7.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 7.571
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 7.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 7.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 7.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 8.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 8.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 8.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 8.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 8.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 8.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 9.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 9.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Bfactors> 106 vectors, 20301 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 : 0.001674
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> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-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 2401150635161121573 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=0
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=100
2401150635161121573.eigenfacs
2401150635161121573.atom
making animated gifs
11 models are in 2401150635161121573.7.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 2401150635161121573.7.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 2401150635161121573.7.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 2401150635161121573 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=0
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=100
2401150635161121573.eigenfacs
2401150635161121573.atom
making animated gifs
11 models are in 2401150635161121573.8.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 2401150635161121573.8.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 2401150635161121573.8.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 2401150635161121573 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=0
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=100
2401150635161121573.eigenfacs
2401150635161121573.atom
making animated gifs
11 models are in 2401150635161121573.9.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 2401150635161121573.9.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 2401150635161121573.9.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 2401150635161121573 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=0
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=100
2401150635161121573.eigenfacs
2401150635161121573.atom
making animated gifs
11 models are in 2401150635161121573.10.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 2401150635161121573.10.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 2401150635161121573.10.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 2401150635161121573 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=-20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=0
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=20
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=40
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=60
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=80
2401150635161121573.eigenfacs
2401150635161121573.atom
calculating perturbed structure for DQ=100
2401150635161121573.eigenfacs
2401150635161121573.atom
making animated gifs
11 models are in 2401150635161121573.11.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 2401150635161121573.11.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 2401150635161121573.11.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
2401150635161121573.10.pdb
2401150635161121573.11.pdb
2401150635161121573.7.pdb
2401150635161121573.8.pdb
2401150635161121573.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m30.910s
user 0m30.842s
sys 0m0.068s
../../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: 2401150635161121573.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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