*** modeller ***
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 = 2401061800174143967.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 2401061800174143967.atom to be opened.
Openam> File opened: 2401061800174143967.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 = 575
First residue number = 1
Last residue number = 575
Number of atoms found = 4560
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 138.521598 +/- 11.634120 From: 94.000000 To: 166.602000
= 134.385772 +/- 11.765346 From: 107.305000 To: 160.006000
= 131.843874 +/- 21.596104 From: 84.509000 To: 188.449000
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 1.7639 % Filled.
Pdbmat> 1650596 non-zero elements.
Pdbmat> 180399 atom-atom interactions.
Pdbmat> Number per atom= 79.12 +/- 23.45
Maximum number = 140
Minimum number = 11
Pdbmat> Matrix trace = 3.607980E+06
Pdbmat> Larger element = 570.311
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
575 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 = 2401061800174143967.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 2401061800174143967.atom to be opened.
Openam> file on opening on unit 11:
2401061800174143967.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4560 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> 575 residues.
Blocpdb> 24 atoms in block 1
Block first atom: 1
Blocpdb> 25 atoms in block 2
Block first atom: 25
Blocpdb> 24 atoms in block 3
Block first atom: 50
Blocpdb> 27 atoms in block 4
Block first atom: 74
Blocpdb> 24 atoms in block 5
Block first atom: 101
Blocpdb> 23 atoms in block 6
Block first atom: 125
Blocpdb> 23 atoms in block 7
Block first atom: 148
Blocpdb> 31 atoms in block 8
Block first atom: 171
Blocpdb> 22 atoms in block 9
Block first atom: 202
Blocpdb> 29 atoms in block 10
Block first atom: 224
Blocpdb> 22 atoms in block 11
Block first atom: 253
Blocpdb> 22 atoms in block 12
Block first atom: 275
Blocpdb> 23 atoms in block 13
Block first atom: 297
Blocpdb> 19 atoms in block 14
Block first atom: 320
Blocpdb> 33 atoms in block 15
Block first atom: 339
Blocpdb> 28 atoms in block 16
Block first atom: 372
Blocpdb> 30 atoms in block 17
Block first atom: 400
Blocpdb> 18 atoms in block 18
Block first atom: 430
Blocpdb> 16 atoms in block 19
Block first atom: 448
Blocpdb> 21 atoms in block 20
Block first atom: 464
Blocpdb> 28 atoms in block 21
Block first atom: 485
Blocpdb> 27 atoms in block 22
Block first atom: 513
Blocpdb> 26 atoms in block 23
Block first atom: 540
Blocpdb> 18 atoms in block 24
Block first atom: 566
Blocpdb> 27 atoms in block 25
Block first atom: 584
Blocpdb> 25 atoms in block 26
Block first atom: 611
Blocpdb> 14 atoms in block 27
Block first atom: 636
Blocpdb> 23 atoms in block 28
Block first atom: 650
Blocpdb> 24 atoms in block 29
Block first atom: 673
Blocpdb> 16 atoms in block 30
Block first atom: 697
Blocpdb> 30 atoms in block 31
Block first atom: 713
Blocpdb> 21 atoms in block 32
Block first atom: 743
Blocpdb> 29 atoms in block 33
Block first atom: 764
Blocpdb> 15 atoms in block 34
Block first atom: 793
Blocpdb> 22 atoms in block 35
Block first atom: 808
Blocpdb> 25 atoms in block 36
Block first atom: 830
Blocpdb> 24 atoms in block 37
Block first atom: 855
Blocpdb> 20 atoms in block 38
Block first atom: 879
Blocpdb> 31 atoms in block 39
Block first atom: 899
Blocpdb> 22 atoms in block 40
Block first atom: 930
Blocpdb> 28 atoms in block 41
Block first atom: 952
Blocpdb> 27 atoms in block 42
Block first atom: 980
Blocpdb> 26 atoms in block 43
Block first atom: 1007
Blocpdb> 26 atoms in block 44
Block first atom: 1033
Blocpdb> 27 atoms in block 45
Block first atom: 1059
Blocpdb> 28 atoms in block 46
Block first atom: 1086
Blocpdb> 24 atoms in block 47
Block first atom: 1114
Blocpdb> 22 atoms in block 48
Block first atom: 1138
Blocpdb> 22 atoms in block 49
Block first atom: 1160
Blocpdb> 21 atoms in block 50
Block first atom: 1182
Blocpdb> 24 atoms in block 51
Block first atom: 1203
Blocpdb> 26 atoms in block 52
Block first atom: 1227
Blocpdb> 21 atoms in block 53
Block first atom: 1253
Blocpdb> 26 atoms in block 54
Block first atom: 1274
Blocpdb> 37 atoms in block 55
Block first atom: 1300
Blocpdb> 23 atoms in block 56
Block first atom: 1337
Blocpdb> 22 atoms in block 57
Block first atom: 1360
Blocpdb> 25 atoms in block 58
Block first atom: 1382
Blocpdb> 25 atoms in block 59
Block first atom: 1407
Blocpdb> 14 atoms in block 60
Block first atom: 1432
Blocpdb> 26 atoms in block 61
Block first atom: 1446
Blocpdb> 21 atoms in block 62
Block first atom: 1472
Blocpdb> 26 atoms in block 63
Block first atom: 1493
Blocpdb> 25 atoms in block 64
Block first atom: 1519
Blocpdb> 28 atoms in block 65
Block first atom: 1544
Blocpdb> 16 atoms in block 66
Block first atom: 1572
Blocpdb> 27 atoms in block 67
Block first atom: 1588
Blocpdb> 20 atoms in block 68
Block first atom: 1615
Blocpdb> 22 atoms in block 69
Block first atom: 1635
Blocpdb> 20 atoms in block 70
Block first atom: 1657
Blocpdb> 27 atoms in block 71
Block first atom: 1677
Blocpdb> 23 atoms in block 72
Block first atom: 1704
Blocpdb> 21 atoms in block 73
Block first atom: 1727
Blocpdb> 27 atoms in block 74
Block first atom: 1748
Blocpdb> 22 atoms in block 75
Block first atom: 1775
Blocpdb> 30 atoms in block 76
Block first atom: 1797
Blocpdb> 23 atoms in block 77
Block first atom: 1827
Blocpdb> 21 atoms in block 78
Block first atom: 1850
Blocpdb> 25 atoms in block 79
Block first atom: 1871
Blocpdb> 21 atoms in block 80
Block first atom: 1896
Blocpdb> 24 atoms in block 81
Block first atom: 1917
Blocpdb> 21 atoms in block 82
Block first atom: 1941
Blocpdb> 22 atoms in block 83
Block first atom: 1962
Blocpdb> 27 atoms in block 84
Block first atom: 1984
Blocpdb> 21 atoms in block 85
Block first atom: 2011
Blocpdb> 28 atoms in block 86
Block first atom: 2032
Blocpdb> 13 atoms in block 87
Block first atom: 2060
Blocpdb> 24 atoms in block 88
Block first atom: 2073
Blocpdb> 21 atoms in block 89
Block first atom: 2097
Blocpdb> 16 atoms in block 90
Block first atom: 2118
Blocpdb> 18 atoms in block 91
Block first atom: 2134
Blocpdb> 18 atoms in block 92
Block first atom: 2152
Blocpdb> 19 atoms in block 93
Block first atom: 2170
Blocpdb> 27 atoms in block 94
Block first atom: 2189
Blocpdb> 23 atoms in block 95
Block first atom: 2216
Blocpdb> 22 atoms in block 96
Block first atom: 2239
Blocpdb> 19 atoms in block 97
Block first atom: 2261
Blocpdb> 26 atoms in block 98
Block first atom: 2280
Blocpdb> 21 atoms in block 99
Block first atom: 2306
Blocpdb> 24 atoms in block 100
Block first atom: 2327
Blocpdb> 23 atoms in block 101
Block first atom: 2351
Blocpdb> 25 atoms in block 102
Block first atom: 2374
Blocpdb> 25 atoms in block 103
Block first atom: 2399
Blocpdb> 24 atoms in block 104
Block first atom: 2424
Blocpdb> 23 atoms in block 105
Block first atom: 2448
Blocpdb> 26 atoms in block 106
Block first atom: 2471
Blocpdb> 22 atoms in block 107
Block first atom: 2497
Blocpdb> 27 atoms in block 108
Block first atom: 2519
Blocpdb> 26 atoms in block 109
Block first atom: 2546
Blocpdb> 22 atoms in block 110
Block first atom: 2572
Blocpdb> 24 atoms in block 111
Block first atom: 2594
Blocpdb> 25 atoms in block 112
Block first atom: 2618
Blocpdb> 20 atoms in block 113
Block first atom: 2643
Blocpdb> 24 atoms in block 114
Block first atom: 2663
Blocpdb> 20 atoms in block 115
Block first atom: 2687
Blocpdb> 23 atoms in block 116
Block first atom: 2707
Blocpdb> 23 atoms in block 117
Block first atom: 2730
Blocpdb> 28 atoms in block 118
Block first atom: 2753
Blocpdb> 20 atoms in block 119
Block first atom: 2781
Blocpdb> 28 atoms in block 120
Block first atom: 2801
Blocpdb> 27 atoms in block 121
Block first atom: 2829
Blocpdb> 18 atoms in block 122
Block first atom: 2856
Blocpdb> 26 atoms in block 123
Block first atom: 2874
Blocpdb> 23 atoms in block 124
Block first atom: 2900
Blocpdb> 23 atoms in block 125
Block first atom: 2923
Blocpdb> 27 atoms in block 126
Block first atom: 2946
Blocpdb> 22 atoms in block 127
Block first atom: 2973
Blocpdb> 25 atoms in block 128
Block first atom: 2995
Blocpdb> 27 atoms in block 129
Block first atom: 3020
Blocpdb> 22 atoms in block 130
Block first atom: 3047
Blocpdb> 19 atoms in block 131
Block first atom: 3069
Blocpdb> 27 atoms in block 132
Block first atom: 3088
Blocpdb> 24 atoms in block 133
Block first atom: 3115
Blocpdb> 24 atoms in block 134
Block first atom: 3139
Blocpdb> 22 atoms in block 135
Block first atom: 3163
Blocpdb> 25 atoms in block 136
Block first atom: 3185
Blocpdb> 20 atoms in block 137
Block first atom: 3210
Blocpdb> 32 atoms in block 138
Block first atom: 3230
Blocpdb> 25 atoms in block 139
Block first atom: 3262
Blocpdb> 30 atoms in block 140
Block first atom: 3287
Blocpdb> 24 atoms in block 141
Block first atom: 3317
Blocpdb> 17 atoms in block 142
Block first atom: 3341
Blocpdb> 20 atoms in block 143
Block first atom: 3358
Blocpdb> 17 atoms in block 144
Block first atom: 3378
Blocpdb> 25 atoms in block 145
Block first atom: 3395
Blocpdb> 20 atoms in block 146
Block first atom: 3420
Blocpdb> 22 atoms in block 147
Block first atom: 3440
Blocpdb> 24 atoms in block 148
Block first atom: 3462
Blocpdb> 28 atoms in block 149
Block first atom: 3486
Blocpdb> 31 atoms in block 150
Block first atom: 3514
Blocpdb> 26 atoms in block 151
Block first atom: 3545
Blocpdb> 24 atoms in block 152
Block first atom: 3571
Blocpdb> 18 atoms in block 153
Block first atom: 3595
Blocpdb> 27 atoms in block 154
Block first atom: 3613
Blocpdb> 26 atoms in block 155
Block first atom: 3640
Blocpdb> 18 atoms in block 156
Block first atom: 3666
Blocpdb> 29 atoms in block 157
Block first atom: 3684
Blocpdb> 24 atoms in block 158
Block first atom: 3713
Blocpdb> 22 atoms in block 159
Block first atom: 3737
Blocpdb> 30 atoms in block 160
Block first atom: 3759
Blocpdb> 22 atoms in block 161
Block first atom: 3789
Blocpdb> 34 atoms in block 162
Block first atom: 3811
Blocpdb> 26 atoms in block 163
Block first atom: 3845
Blocpdb> 23 atoms in block 164
Block first atom: 3871
Blocpdb> 21 atoms in block 165
Block first atom: 3894
Blocpdb> 27 atoms in block 166
Block first atom: 3915
Blocpdb> 20 atoms in block 167
Block first atom: 3942
Blocpdb> 27 atoms in block 168
Block first atom: 3962
Blocpdb> 21 atoms in block 169
Block first atom: 3989
Blocpdb> 27 atoms in block 170
Block first atom: 4010
Blocpdb> 24 atoms in block 171
Block first atom: 4037
Blocpdb> 23 atoms in block 172
Block first atom: 4061
Blocpdb> 24 atoms in block 173
Block first atom: 4084
Blocpdb> 21 atoms in block 174
Block first atom: 4108
Blocpdb> 21 atoms in block 175
Block first atom: 4129
Blocpdb> 23 atoms in block 176
Block first atom: 4150
Blocpdb> 36 atoms in block 177
Block first atom: 4173
Blocpdb> 25 atoms in block 178
Block first atom: 4209
Blocpdb> 20 atoms in block 179
Block first atom: 4234
Blocpdb> 23 atoms in block 180
Block first atom: 4254
Blocpdb> 27 atoms in block 181
Block first atom: 4277
Blocpdb> 22 atoms in block 182
Block first atom: 4304
Blocpdb> 25 atoms in block 183
Block first atom: 4326
Blocpdb> 22 atoms in block 184
Block first atom: 4351
Blocpdb> 24 atoms in block 185
Block first atom: 4373
Blocpdb> 27 atoms in block 186
Block first atom: 4397
Blocpdb> 28 atoms in block 187
Block first atom: 4424
Blocpdb> 19 atoms in block 188
Block first atom: 4452
Blocpdb> 21 atoms in block 189
Block first atom: 4471
Blocpdb> 24 atoms in block 190
Block first atom: 4492
Blocpdb> 23 atoms in block 191
Block first atom: 4516
Blocpdb> 22 atoms in block 192
Block first atom: 4538
Blocpdb> 192 blocks.
Blocpdb> At most, 37 atoms in each of them.
Blocpdb> At least, 13 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> 1650788 matrix lines read.
Prepmat> Matrix order = 13680
Prepmat> Matrix trace = 3607980.0000
Prepmat> Last element read: 13680 13680 75.7110
Prepmat> 18529 lines saved.
Prepmat> 16692 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: 4560
RTB> Total mass = 4560.0000
RTB> Number of atoms found in matrix: 4560
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 233501.7831
RTB> 63216 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1152
Diagstd> Nb of non-zero elements: 63216
Diagstd> Projected matrix trace = 233501.7831
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1152 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 233501.7831
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 0.0342851 0.0681849 0.1087932 0.1983162
0.3417238 0.4810486 1.0109212 1.2212517 1.4621369
1.8138240 2.1632923 2.3083730 2.7596382 3.0463241
3.4262352 4.0590310 4.4859208 4.6839085 5.5589138
6.2321813 6.4604598 6.7329076 7.0178129 7.1143879
7.6444610 8.3562325 8.8973757 9.0312790 9.6802794
9.9560239 10.1914791 10.2587343 10.8157975 10.8860797
11.0923214 11.7905920 12.6564302 12.9196569 13.4537058
14.0997676 14.2643656 15.3986731 15.7005184 15.8837599
16.2244854 16.8334464 17.1029420 17.3287518 17.4279699
17.9216429 18.7324904 19.1122692 19.3477217 20.0242035
20.2834790 20.6230788 20.7072899 20.8638865 21.0945906
21.7238444 21.8607534 22.5404551 22.6592889 23.4186321
23.6371911 23.8925650 24.4055823 25.0304356 25.6180797
26.1443397 26.2162748 26.9512778 27.2626528 28.0546212
28.2555177 28.2973319 28.9846660 29.3078034 29.8192806
29.9610228 30.5325992 30.9493786 31.2464492 31.5285615
31.9163959 32.0917992 32.3803837 32.6186978 33.1184890
33.4259988 33.8043803 34.3277295 34.7428907 35.2093268
35.3685126 35.9546120 36.4688414 36.6808697 36.9242263
37.6875259
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034336 0.0034337 0.0034341 0.0034343
0.0034365 20.1070325 28.3556397 35.8175711 48.3586702
63.4794104 75.3164354 109.1827259 120.0045916 131.3074305
146.2489808 159.7176399 164.9864469 180.3936955 189.5323451
201.0036155 218.7794180 229.9964215 235.0171105 256.0296418
271.0911365 276.0113835 281.7712045 287.6710600 289.6436761
300.2401127 313.9066663 323.9114087 326.3397006 337.8619051
342.6401445 346.6681078 347.8100849 357.1285358 358.2869871
361.6650178 372.8748450 386.3232936 390.3199685 398.3054447
407.7568429 410.1299751 426.1249178 430.2811060 432.7847375
437.4019813 445.5349737 449.0872154 452.0421392 453.3344059
459.7102529 469.9947859 474.7351699 477.6504559 485.9290969
489.0649100 493.1420435 494.1478525 496.0128022 498.7476139
506.1317966 507.7241749 515.5569200 516.9141470 525.5040195
527.9505098 530.7948111 536.4631154 543.2872135 549.6276424
555.2443129 556.0076550 563.7479309 566.9951399 575.1716675
577.2273688 577.6543190 584.6277561 587.8776037 592.9852099
594.3928792 600.0358084 604.1172641 607.0096792 609.7437516
613.4825328 615.1659849 617.9257244 620.1954706 624.9287965
627.8233683 631.3668414 636.2353858 640.0711536 644.3534247
645.8083834 651.1373135 655.7771248 657.6806920 659.8587538
666.6441837
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4560
Rtb_to_modes> Number of blocs = 192
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9964E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0015E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.4285E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.8185E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1088
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1983
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.3417
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.4810
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.011
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.221
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.462
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.814
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.163
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.308
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.760
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.046
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.426
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.059
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.486
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.684
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.559
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.232
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 6.460
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.733
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.018
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.114
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.644
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.356
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.897
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 9.031
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.680
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.956
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.82
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.89
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 12.66
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 13.45
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 14.10
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 14.26
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 15.70
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 15.88
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.83
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 17.33
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.43
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.11
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.35
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 20.02
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.28
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.62
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 20.71
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 20.86
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 21.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 21.86
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.54
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.66
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 23.42
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 23.64
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 23.89
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 24.41
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.03
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 25.62
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.14
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 26.22
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 26.95
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 28.05
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.26
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 29.31
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 29.96
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 30.53
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 30.95
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 31.25
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 31.53
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 31.92
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 32.09
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 32.38
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 32.62
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 33.12
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 33.43
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 33.80
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 34.33
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 34.74
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 35.21
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 35.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 35.95
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 36.47
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 36.92
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 37.69
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00001 1.00001 1.00000
1.00001 0.99998 0.99996 1.00002 0.99999
0.99998 0.99995 0.99999 0.99996 0.99999
1.00000 0.99999 0.99997 1.00001 1.00002
1.00001 0.99997 1.00000 1.00001 1.00002
1.00002 0.99998 0.99999 0.99998 0.99999
0.99999 0.99999 1.00000 1.00005 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00001 1.00003 1.00000 1.00000 1.00001
1.00001 0.99994 1.00000 0.99997 1.00000
0.99998 1.00000 0.99998 1.00001 1.00001
1.00000 1.00000 1.00000 1.00000 0.99996
1.00000 0.99999 1.00002 1.00002 1.00000
1.00000 1.00000 1.00001 1.00000 1.00001
1.00001 0.99999 0.99997 1.00002 0.99997
1.00001 1.00000 0.99999 0.99999 0.99999
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000 1.00000 1.00002 0.99999 1.00000
1.00001 0.99998 0.99998 0.99999 1.00003
0.99997 1.00002 0.99999 1.00004 1.00001
1.00000 0.99999 0.99998 1.00000 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 82080 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00001 1.00001 1.00000
1.00001 0.99998 0.99996 1.00002 0.99999
0.99998 0.99995 0.99999 0.99996 0.99999
1.00000 0.99999 0.99997 1.00001 1.00002
1.00001 0.99997 1.00000 1.00001 1.00002
1.00002 0.99998 0.99999 0.99998 0.99999
0.99999 0.99999 1.00000 1.00005 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00001 1.00003 1.00000 1.00000 1.00001
1.00001 0.99994 1.00000 0.99997 1.00000
0.99998 1.00000 0.99998 1.00001 1.00001
1.00000 1.00000 1.00000 1.00000 0.99996
1.00000 0.99999 1.00002 1.00002 1.00000
1.00000 1.00000 1.00001 1.00000 1.00001
1.00001 0.99999 0.99997 1.00002 0.99997
1.00001 1.00000 0.99999 0.99999 0.99999
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000 1.00000 1.00002 0.99999 1.00000
1.00001 0.99998 0.99998 0.99999 1.00003
0.99997 1.00002 0.99999 1.00004 1.00001
1.00000 0.99999 0.99998 1.00000 1.00000
1.00002
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> 2401061800174143967.eigenfacs
Openam> file on opening on unit 10:
2401061800174143967.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401061800174143967.atom
Openam> file on opening on unit 11:
2401061800174143967.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 = 575
First residue number = 1
Last residue number = 575
Number of atoms found = 4560
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: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4285E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8185E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 6.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 12.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 13.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 14.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 14.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 15.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 20.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 21.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 23.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 23.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 24.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 25.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 26.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 26.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 28.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 29.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 29.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 30.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 30.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 31.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 31.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 31.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 32.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 32.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 32.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 33.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 33.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 33.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 34.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 34.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 35.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 35.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 35.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 36.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 36.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 37.69
Bfactors> 106 vectors, 13680 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 : 0.034285
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= 0.174 for 575 C-alpha atoms.
Bfactors> = 0.228 +/- 1.25
Bfactors> = 115.476 +/- 60.36
Bfactors> Shiftng-fct= 115.248
Bfactors> Scaling-fct= 48.373
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401061800174143967 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.7.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 2401061800174143967.7.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 2401061800174143967.7.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 2401061800174143967 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.8.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 2401061800174143967.8.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 2401061800174143967.8.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 2401061800174143967 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.9.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 2401061800174143967.9.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 2401061800174143967.9.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 2401061800174143967 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.10.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 2401061800174143967.10.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 2401061800174143967.10.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 2401061800174143967 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.11.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 2401061800174143967.11.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 2401061800174143967.11.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
getting mode 12
running: ../../bin/get_modes.sh 2401061800174143967 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.12.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 2401061800174143967.12.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 2401061800174143967.12.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 13
running: ../../bin/get_modes.sh 2401061800174143967 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.13.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 2401061800174143967.13.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 2401061800174143967.13.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 14
running: ../../bin/get_modes.sh 2401061800174143967 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.14.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 2401061800174143967.14.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 2401061800174143967.14.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 15
running: ../../bin/get_modes.sh 2401061800174143967 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.15.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 2401061800174143967.15.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 2401061800174143967.15.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 16
running: ../../bin/get_modes.sh 2401061800174143967 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=-20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=0
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=20
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=40
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=60
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=80
2401061800174143967.eigenfacs
2401061800174143967.atom
calculating perturbed structure for DQ=100
2401061800174143967.eigenfacs
2401061800174143967.atom
making animated gifs
11 models are in 2401061800174143967.16.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 2401061800174143967.16.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 2401061800174143967.16.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
2401061800174143967.10.pdb
2401061800174143967.11.pdb
2401061800174143967.12.pdb
2401061800174143967.13.pdb
2401061800174143967.14.pdb
2401061800174143967.15.pdb
2401061800174143967.16.pdb
2401061800174143967.7.pdb
2401061800174143967.8.pdb
2401061800174143967.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.084s
user 0m29.007s
sys 0m0.076s
../../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: 2401061800174143967.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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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