*** CELL ADHESION 19-JUN-04 1TR2 ***
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 = 2403172103483608699.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 2403172103483608699.atom to be opened.
Openam> File opened: 2403172103483608699.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 = 1985
First residue number = 2
Last residue number = 1062
Number of atoms found = 15239
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 7.823068 +/- 20.405573 From: -40.572000 To: 58.735000
= 7.560465 +/- 20.782752 From: -40.278000 To: 57.140000
= 45.673784 +/- 31.541736 From: -19.964000 To: 114.548000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.5104 % Filled.
Pdbmat> 5333829 non-zero elements.
Pdbmat> 582580 atom-atom interactions.
Pdbmat> Number per atom= 76.46 +/- 18.66
Maximum number = 128
Minimum number = 13
Pdbmat> Matrix trace = 1.165160E+07
Pdbmat> Larger element = 513.766
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1985 non-zero elements, NRBL set to 10
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403172103483608699.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 10
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403172103483608699.atom to be opened.
Openam> file on opening on unit 11:
2403172103483608699.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 15239 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 10 residue(s) per block.
Blocpdb> 1985 residues.
Blocpdb> 83 atoms in block 1
Block first atom: 1
Blocpdb> 76 atoms in block 2
Block first atom: 84
Blocpdb> 39 atoms in block 3
Block first atom: 160
Blocpdb> 74 atoms in block 4
Block first atom: 199
Blocpdb> 67 atoms in block 5
Block first atom: 273
Blocpdb> 73 atoms in block 6
Block first atom: 340
Blocpdb> 75 atoms in block 7
Block first atom: 413
Blocpdb> 61 atoms in block 8
Block first atom: 488
Blocpdb> 76 atoms in block 9
Block first atom: 549
Blocpdb> 65 atoms in block 10
Block first atom: 625
Blocpdb> 75 atoms in block 11
Block first atom: 690
Blocpdb> 80 atoms in block 12
Block first atom: 765
Blocpdb> 71 atoms in block 13
Block first atom: 845
Blocpdb> 84 atoms in block 14
Block first atom: 916
Blocpdb> 82 atoms in block 15
Block first atom: 1000
Blocpdb> 66 atoms in block 16
Block first atom: 1082
Blocpdb> 83 atoms in block 17
Block first atom: 1148
Blocpdb> 15 atoms in block 18
Block first atom: 1231
Blocpdb> 16 atoms in block 19
Block first atom: 1246
Blocpdb> 14 atoms in block 20
Block first atom: 1262
Blocpdb> 88 atoms in block 21
Block first atom: 1276
Blocpdb> 46 atoms in block 22
Block first atom: 1364
Blocpdb> 29 atoms in block 23
Block first atom: 1410
Blocpdb> 78 atoms in block 24
Block first atom: 1439
Blocpdb> 19 atoms in block 25
Block first atom: 1517
Blocpdb> 81 atoms in block 26
Block first atom: 1536
Blocpdb> 77 atoms in block 27
Block first atom: 1617
Blocpdb> 62 atoms in block 28
Block first atom: 1694
Blocpdb> 79 atoms in block 29
Block first atom: 1756
Blocpdb> 82 atoms in block 30
Block first atom: 1835
Blocpdb> 63 atoms in block 31
Block first atom: 1917
Blocpdb> 75 atoms in block 32
Block first atom: 1980
Blocpdb> 84 atoms in block 33
Block first atom: 2055
Blocpdb> 61 atoms in block 34
Block first atom: 2139
Blocpdb> 85 atoms in block 35
Block first atom: 2200
Blocpdb> 65 atoms in block 36
Block first atom: 2285
Blocpdb> 82 atoms in block 37
Block first atom: 2350
Blocpdb> 21 atoms in block 38
Block first atom: 2432
Blocpdb> 79 atoms in block 39
Block first atom: 2453
Blocpdb> 48 atoms in block 40
Block first atom: 2532
Blocpdb> 80 atoms in block 41
Block first atom: 2580
Blocpdb> 78 atoms in block 42
Block first atom: 2660
Blocpdb> 47 atoms in block 43
Block first atom: 2738
Blocpdb> 76 atoms in block 44
Block first atom: 2785
Blocpdb> 78 atoms in block 45
Block first atom: 2861
Blocpdb> 70 atoms in block 46
Block first atom: 2939
Blocpdb> 82 atoms in block 47
Block first atom: 3009
Blocpdb> 77 atoms in block 48
Block first atom: 3091
Blocpdb> 81 atoms in block 49
Block first atom: 3168
Blocpdb> 70 atoms in block 50
Block first atom: 3249
Blocpdb> 77 atoms in block 51
Block first atom: 3319
Blocpdb> 73 atoms in block 52
Block first atom: 3396
Blocpdb> 77 atoms in block 53
Block first atom: 3469
Blocpdb> 73 atoms in block 54
Block first atom: 3546
Blocpdb> 79 atoms in block 55
Block first atom: 3619
Blocpdb> 88 atoms in block 56
Block first atom: 3698
Blocpdb> 70 atoms in block 57
Block first atom: 3786
Blocpdb> 71 atoms in block 58
Block first atom: 3856
Blocpdb> 39 atoms in block 59
Block first atom: 3927
Blocpdb> 81 atoms in block 60
Block first atom: 3966
Blocpdb> 78 atoms in block 61
Block first atom: 4047
Blocpdb> 67 atoms in block 62
Block first atom: 4125
Blocpdb> 71 atoms in block 63
Block first atom: 4192
Blocpdb> 82 atoms in block 64
Block first atom: 4263
Blocpdb> 16 atoms in block 65
Block first atom: 4345
Blocpdb> 23 atoms in block 66
Block first atom: 4361
Blocpdb> 78 atoms in block 67
Block first atom: 4384
Blocpdb> 73 atoms in block 68
Block first atom: 4462
Blocpdb> 64 atoms in block 69
Block first atom: 4535
Blocpdb> 85 atoms in block 70
Block first atom: 4599
Blocpdb> 77 atoms in block 71
Block first atom: 4684
Blocpdb> 61 atoms in block 72
Block first atom: 4761
Blocpdb> 70 atoms in block 73
Block first atom: 4822
Blocpdb> 76 atoms in block 74
Block first atom: 4892
Blocpdb> 72 atoms in block 75
Block first atom: 4968
Blocpdb> 73 atoms in block 76
Block first atom: 5040
Blocpdb> 58 atoms in block 77
Block first atom: 5113
Blocpdb> 89 atoms in block 78
Block first atom: 5171
Blocpdb> 71 atoms in block 79
Block first atom: 5260
Blocpdb> 73 atoms in block 80
Block first atom: 5331
Blocpdb> 81 atoms in block 81
Block first atom: 5404
Blocpdb> 5 atoms in block 82
Block first atom: 5485
Blocpdb> 46 atoms in block 83
Block first atom: 5490
Blocpdb> 66 atoms in block 84
Block first atom: 5536
Blocpdb> 80 atoms in block 85
Block first atom: 5602
Blocpdb> 83 atoms in block 86
Block first atom: 5682
Blocpdb> 76 atoms in block 87
Block first atom: 5765
Blocpdb> 60 atoms in block 88
Block first atom: 5841
Blocpdb> 7 atoms in block 89
Block first atom: 5901
Blocpdb> 65 atoms in block 90
Block first atom: 5908
Blocpdb> 78 atoms in block 91
Block first atom: 5973
Blocpdb> 70 atoms in block 92
Block first atom: 6051
Blocpdb> 86 atoms in block 93
Block first atom: 6121
Blocpdb> 33 atoms in block 94
Block first atom: 6207
Blocpdb> 85 atoms in block 95
Block first atom: 6240
Blocpdb> 77 atoms in block 96
Block first atom: 6325
Blocpdb> 7 atoms in block 97
Block first atom: 6402
Blocpdb> 81 atoms in block 98
Block first atom: 6409
Blocpdb> 80 atoms in block 99
Block first atom: 6490
Blocpdb> 35 atoms in block 100
Block first atom: 6570
Blocpdb> 21 atoms in block 101
Block first atom: 6605
Blocpdb> 14 atoms in block 102
Block first atom: 6626
Blocpdb> 68 atoms in block 103
Block first atom: 6640
Blocpdb> 78 atoms in block 104
Block first atom: 6708
Blocpdb> 75 atoms in block 105
Block first atom: 6786
Blocpdb> 74 atoms in block 106
Block first atom: 6861
Blocpdb> 87 atoms in block 107
Block first atom: 6935
Blocpdb> 76 atoms in block 108
Block first atom: 7022
Blocpdb> 76 atoms in block 109
Block first atom: 7098
Blocpdb> 7 atoms in block 110
Block first atom: 7174
Blocpdb> 85 atoms in block 111
Block first atom: 7181
Blocpdb> 45 atoms in block 112
Block first atom: 7266
Blocpdb> 63 atoms in block 113
Block first atom: 7311
Blocpdb> 79 atoms in block 114
Block first atom: 7374
Blocpdb> 76 atoms in block 115
Block first atom: 7453
Blocpdb> 92 atoms in block 116
Block first atom: 7529
Blocpdb> 83 atoms in block 117
Block first atom: 7621
Blocpdb> 76 atoms in block 118
Block first atom: 7704
Blocpdb> 33 atoms in block 119
Block first atom: 7780
Blocpdb> 74 atoms in block 120
Block first atom: 7813
Blocpdb> 67 atoms in block 121
Block first atom: 7887
Blocpdb> 73 atoms in block 122
Block first atom: 7954
Blocpdb> 75 atoms in block 123
Block first atom: 8027
Blocpdb> 61 atoms in block 124
Block first atom: 8102
Blocpdb> 76 atoms in block 125
Block first atom: 8163
Blocpdb> 65 atoms in block 126
Block first atom: 8239
Blocpdb> 75 atoms in block 127
Block first atom: 8304
Blocpdb> 80 atoms in block 128
Block first atom: 8379
Blocpdb> 71 atoms in block 129
Block first atom: 8459
Blocpdb> 84 atoms in block 130
Block first atom: 8530
Blocpdb> 82 atoms in block 131
Block first atom: 8614
Blocpdb> 66 atoms in block 132
Block first atom: 8696
Blocpdb> 83 atoms in block 133
Block first atom: 8762
Blocpdb> 15 atoms in block 134
Block first atom: 8845
Blocpdb> 16 atoms in block 135
Block first atom: 8860
Blocpdb> 14 atoms in block 136
Block first atom: 8876
Blocpdb> 88 atoms in block 137
Block first atom: 8890
Blocpdb> 46 atoms in block 138
Block first atom: 8978
Blocpdb> 29 atoms in block 139
Block first atom: 9024
Blocpdb> 78 atoms in block 140
Block first atom: 9053
Blocpdb> 19 atoms in block 141
Block first atom: 9131
Blocpdb> 81 atoms in block 142
Block first atom: 9150
Blocpdb> 77 atoms in block 143
Block first atom: 9231
Blocpdb> 62 atoms in block 144
Block first atom: 9308
Blocpdb> 79 atoms in block 145
Block first atom: 9370
Blocpdb> 82 atoms in block 146
Block first atom: 9449
Blocpdb> 63 atoms in block 147
Block first atom: 9531
Blocpdb> 75 atoms in block 148
Block first atom: 9594
Blocpdb> 84 atoms in block 149
Block first atom: 9669
Blocpdb> 61 atoms in block 150
Block first atom: 9753
Blocpdb> 80 atoms in block 151
Block first atom: 9814
Blocpdb> 65 atoms in block 152
Block first atom: 9894
Blocpdb> 82 atoms in block 153
Block first atom: 9959
Blocpdb> 21 atoms in block 154
Block first atom: 10041
Blocpdb> 86 atoms in block 155
Block first atom: 10062
Blocpdb> 48 atoms in block 156
Block first atom: 10148
Blocpdb> 80 atoms in block 157
Block first atom: 10196
Blocpdb> 73 atoms in block 158
Block first atom: 10276
Blocpdb> 47 atoms in block 159
Block first atom: 10349
Blocpdb> 76 atoms in block 160
Block first atom: 10396
Blocpdb> 78 atoms in block 161
Block first atom: 10472
Blocpdb> 70 atoms in block 162
Block first atom: 10550
Blocpdb> 75 atoms in block 163
Block first atom: 10620
Blocpdb> 77 atoms in block 164
Block first atom: 10695
Blocpdb> 87 atoms in block 165
Block first atom: 10772
Blocpdb> 70 atoms in block 166
Block first atom: 10859
Blocpdb> 77 atoms in block 167
Block first atom: 10929
Blocpdb> 73 atoms in block 168
Block first atom: 11006
Blocpdb> 77 atoms in block 169
Block first atom: 11079
Blocpdb> 73 atoms in block 170
Block first atom: 11156
Blocpdb> 74 atoms in block 171
Block first atom: 11229
Blocpdb> 88 atoms in block 172
Block first atom: 11303
Blocpdb> 70 atoms in block 173
Block first atom: 11391
Blocpdb> 71 atoms in block 174
Block first atom: 11461
Blocpdb> 39 atoms in block 175
Block first atom: 11532
Blocpdb> 85 atoms in block 176
Block first atom: 11571
Blocpdb> 83 atoms in block 177
Block first atom: 11656
Blocpdb> 67 atoms in block 178
Block first atom: 11739
Blocpdb> 71 atoms in block 179
Block first atom: 11806
Blocpdb> 82 atoms in block 180
Block first atom: 11877
Blocpdb> 16 atoms in block 181
Block first atom: 11959
Blocpdb> 23 atoms in block 182
Block first atom: 11975
Blocpdb> 78 atoms in block 183
Block first atom: 11998
Blocpdb> 73 atoms in block 184
Block first atom: 12076
Blocpdb> 64 atoms in block 185
Block first atom: 12149
Blocpdb> 89 atoms in block 186
Block first atom: 12213
Blocpdb> 77 atoms in block 187
Block first atom: 12302
Blocpdb> 61 atoms in block 188
Block first atom: 12379
Blocpdb> 70 atoms in block 189
Block first atom: 12440
Blocpdb> 76 atoms in block 190
Block first atom: 12510
Blocpdb> 72 atoms in block 191
Block first atom: 12586
Blocpdb> 73 atoms in block 192
Block first atom: 12658
Blocpdb> 58 atoms in block 193
Block first atom: 12731
Blocpdb> 89 atoms in block 194
Block first atom: 12789
Blocpdb> 71 atoms in block 195
Block first atom: 12878
Blocpdb> 73 atoms in block 196
Block first atom: 12949
Blocpdb> 81 atoms in block 197
Block first atom: 13022
Blocpdb> 5 atoms in block 198
Block first atom: 13103
Blocpdb> 46 atoms in block 199
Block first atom: 13108
Blocpdb> 66 atoms in block 200
Block first atom: 13154
Blocpdb> 80 atoms in block 201
Block first atom: 13220
Blocpdb> 83 atoms in block 202
Block first atom: 13300
Blocpdb> 76 atoms in block 203
Block first atom: 13383
Blocpdb> 60 atoms in block 204
Block first atom: 13459
Blocpdb> 7 atoms in block 205
Block first atom: 13519
Blocpdb> 65 atoms in block 206
Block first atom: 13526
Blocpdb> 78 atoms in block 207
Block first atom: 13591
Blocpdb> 70 atoms in block 208
Block first atom: 13669
Blocpdb> 86 atoms in block 209
Block first atom: 13739
Blocpdb> 33 atoms in block 210
Block first atom: 13825
Blocpdb> 85 atoms in block 211
Block first atom: 13858
Blocpdb> 77 atoms in block 212
Block first atom: 13943
Blocpdb> 7 atoms in block 213
Block first atom: 14020
Blocpdb> 81 atoms in block 214
Block first atom: 14027
Blocpdb> 80 atoms in block 215
Block first atom: 14108
Blocpdb> 35 atoms in block 216
Block first atom: 14188
Blocpdb> 21 atoms in block 217
Block first atom: 14223
Blocpdb> 14 atoms in block 218
Block first atom: 14244
Blocpdb> 68 atoms in block 219
Block first atom: 14258
Blocpdb> 78 atoms in block 220
Block first atom: 14326
Blocpdb> 81 atoms in block 221
Block first atom: 14404
Blocpdb> 74 atoms in block 222
Block first atom: 14485
Blocpdb> 87 atoms in block 223
Block first atom: 14559
Blocpdb> 76 atoms in block 224
Block first atom: 14646
Blocpdb> 76 atoms in block 225
Block first atom: 14722
Blocpdb> 7 atoms in block 226
Block first atom: 14798
Blocpdb> 78 atoms in block 227
Block first atom: 14805
Blocpdb> 45 atoms in block 228
Block first atom: 14883
Blocpdb> 63 atoms in block 229
Block first atom: 14928
Blocpdb> 79 atoms in block 230
Block first atom: 14991
Blocpdb> 76 atoms in block 231
Block first atom: 15070
Blocpdb> 87 atoms in block 232
Block first atom: 15146
Blocpdb> 7 atoms in block 233
Block first atom: 15232
Blocpdb> 233 blocks.
Blocpdb> At most, 92 atoms in each of them.
Blocpdb> At least, 5 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> 5334062 matrix lines read.
Prepmat> Matrix order = 45717
Prepmat> Matrix trace = 11651600.0000
Prepmat> Last element read: 45717 45717 86.3788
Prepmat> 27262 lines saved.
Prepmat> 25682 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: 15239
RTB> Total mass = 15239.0000
RTB> Number of atoms found in matrix: 15239
RTB> Number of blocks = 233
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 188507.0843
RTB> 53349 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 = 1398
Diagstd> Nb of non-zero elements: 53349
Diagstd> Projected matrix trace = 188507.0843
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1398 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 188507.0843
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 0.2304830 0.2359082 0.3318266 0.5090158
0.6386114 0.7002732 0.7277204 0.8281918 0.9375132
1.0178859 1.0492632 1.0967336 1.1938236 1.2904843
1.3838979 1.4914505 1.5994020 1.6038383 1.8651441
1.9744021 2.0950004 2.2047005 2.3896895 2.4107165
2.4987126 2.5500522 2.7480182 2.8755330 3.0750190
3.2124322 3.3570590 3.3893833 3.5056048 3.5777710
3.7363377 3.9075443 4.0697667 4.2486805 4.5294487
4.6890546 4.9506582 5.0817226 5.3292778 5.5102624
5.9540118 6.0722379 6.2164940 6.3234576 6.6823439
6.7697330 6.9811954 7.0917405 7.4063543 7.5172027
7.6155979 7.7160667 8.0563657 8.3623033 8.5543271
8.6077595 8.8172918 8.9315754 9.0475435 9.3536249
9.4928296 9.7338473 9.7494221 9.7854837 10.1780874
10.3445562 10.4626114 10.9766130 11.3350949 11.4956251
11.6178799 11.7932242 12.1575882 12.2156260 12.2914083
12.3756860 12.7359499 12.9041395 13.2811095 13.3421234
13.7001572 13.8592675 14.3517530 14.4348639 14.7864415
15.0022031 15.0612825 15.6477908 15.8044843 15.9000606
16.1909459 16.4654605 16.8233192 17.0016015 17.3398915
17.4130886
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034335 0.0034336 0.0034340 0.0034341
0.0034343 52.1332360 52.7432354 62.5533981 77.4748781
86.7787941 90.8717786 92.6355219 98.8236192 105.1438760
109.5581836 111.2339878 113.7223601 118.6493469 123.3592275
127.7460004 132.6171549 137.3327457 137.5230720 148.3035271
152.5854346 157.1763981 161.2389935 167.8672646 168.6041848
171.6538057 173.4082728 180.0135037 184.1426785 190.4229042
194.6311141 198.9641199 199.9197159 203.3184337 205.4005260
209.9028520 214.6580771 219.0685505 223.8320728 231.1095824
235.1461775 241.6165897 244.7939925 250.6856406 254.9067992
264.9720868 267.5898710 270.7497346 273.0691157 280.7111673
282.5407222 286.9195743 289.1822942 295.5272424 297.7305569
299.6727701 301.6430098 308.2228747 314.0206720 317.6056403
318.5960177 322.4503762 324.5333367 326.6334215 332.1125248
334.5747197 338.7954310 339.0663700 339.6928684 346.4402697
349.2618993 351.2491873 359.7737362 365.6014094 368.1811718
370.1337785 372.9164641 378.6334634 379.5361472 380.7115947
382.0145652 387.5350172 390.0854983 395.7422866 396.6502728
401.9370632 404.2643260 411.3843409 412.5737828 417.5679098
420.6034205 421.4307856 429.5579849 431.7033764 433.0067535
436.9496459 440.6382777 445.4009337 447.7547447 452.1874123
453.1408192
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 15239
Rtb_to_modes> Number of blocs = 233
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: 9.9940E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9982E-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: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2305
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2359
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3318
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5090
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.6386
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.7003
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.7277
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.8282
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.9375
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.018
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.049
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.097
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.194
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.290
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.384
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.491
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.599
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.604
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.865
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.974
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.095
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.205
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.390
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.411
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.499
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.550
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.748
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.876
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.075
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.212
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.357
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.389
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.506
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.578
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.736
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.908
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.070
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.249
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.529
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.689
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 4.951
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.082
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.329
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 5.510
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 5.954
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.072
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.216
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.323
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 6.682
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 6.770
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 6.981
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.092
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 7.406
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 7.517
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 7.616
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 7.716
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 8.056
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 8.362
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 8.554
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 8.608
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 8.817
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 8.932
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 9.048
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 9.354
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 9.493
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 9.734
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 9.749
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 9.785
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 10.18
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 10.98
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 12.16
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 12.22
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 12.29
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 12.38
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 12.90
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 13.34
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 13.70
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 13.86
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 14.35
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 14.79
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 15.00
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 15.65
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 15.80
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 15.90
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 16.19
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 16.47
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 16.82
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 17.00
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 17.34
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 17.41
Rtb_to_modes> 106 vectors, with 1398 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 1.00000 0.99996 1.00001
1.00003 1.00001 1.00000 1.00000 0.99997
0.99999 1.00001 0.99996 0.99999 1.00000
0.99998 1.00000 1.00003 1.00003 1.00002
1.00000 0.99999 1.00002 1.00000 1.00003
1.00002 1.00001 1.00001 0.99999 0.99998
1.00001 1.00001 0.99997 0.99998 1.00001
0.99998 1.00001 0.99999 1.00000 1.00000
1.00001 1.00001 1.00000 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 0.99999 1.00000 1.00000
1.00000 0.99997 1.00001 0.99999 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00000 0.99997 1.00001
1.00000 1.00002 1.00000 1.00001 1.00001
1.00000 0.99997 1.00003 1.00001 0.99999
0.99998 1.00000 1.00000 1.00000 1.00000
0.99999 0.99998 0.99998 1.00002 0.99998
1.00001 1.00001 0.99998 0.99999 0.99998
1.00001 1.00000 1.00001 1.00000 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 274302 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 1.00000 0.99996 1.00001
1.00003 1.00001 1.00000 1.00000 0.99997
0.99999 1.00001 0.99996 0.99999 1.00000
0.99998 1.00000 1.00003 1.00003 1.00002
1.00000 0.99999 1.00002 1.00000 1.00003
1.00002 1.00001 1.00001 0.99999 0.99998
1.00001 1.00001 0.99997 0.99998 1.00001
0.99998 1.00001 0.99999 1.00000 1.00000
1.00001 1.00001 1.00000 0.99999 1.00001
0.99999 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 0.99999 1.00000 1.00000
1.00000 0.99997 1.00001 0.99999 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00000 0.99997 1.00001
1.00000 1.00002 1.00000 1.00001 1.00001
1.00000 0.99997 1.00003 1.00001 0.99999
0.99998 1.00000 1.00000 1.00000 1.00000
0.99999 0.99998 0.99998 1.00002 0.99998
1.00001 1.00001 0.99998 0.99999 0.99998
1.00001 1.00000 1.00001 1.00000 1.00001
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6:-0.000-0.000-0.000-0.000 0.000
Vector 7: 0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000 0.000-0.000-0.000 0.000 0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000 0.000-0.000-0.000
Vector 10: 0.000-0.000-0.000 0.000-0.000 0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403172103483608699.eigenfacs
Openam> file on opening on unit 10:
2403172103483608699.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403172103483608699.atom
Openam> file on opening on unit 11:
2403172103483608699.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 = 1985
First residue number = 2
Last residue number = 1062
Number of atoms found = 15239
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-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: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 4.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 5.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 5.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 6.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 6.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 6.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 7.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 7.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 7.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 7.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 8.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 8.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 8.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 8.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 8.817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 8.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 9.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 9.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 9.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 9.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 9.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 12.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 12.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 13.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 15.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 15.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 16.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 17.41
Bfactors> 106 vectors, 45717 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 : 0.230500
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= 0.295 for 1985 C-alpha atoms.
Bfactors> = 0.041 +/- 0.08
Bfactors> = 85.737 +/- 26.63
Bfactors> Shiftng-fct= 85.696
Bfactors> Scaling-fct= 338.655
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403172103483608699 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=0
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=100
2403172103483608699.eigenfacs
2403172103483608699.atom
making animated gifs
11 models are in 2403172103483608699.7.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 2403172103483608699.7.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 2403172103483608699.7.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 2403172103483608699 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=0
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=100
2403172103483608699.eigenfacs
2403172103483608699.atom
making animated gifs
11 models are in 2403172103483608699.8.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 2403172103483608699.8.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 2403172103483608699.8.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 2403172103483608699 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=0
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=100
2403172103483608699.eigenfacs
2403172103483608699.atom
making animated gifs
11 models are in 2403172103483608699.9.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 2403172103483608699.9.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 2403172103483608699.9.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 2403172103483608699 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=0
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=100
2403172103483608699.eigenfacs
2403172103483608699.atom
making animated gifs
11 models are in 2403172103483608699.10.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 2403172103483608699.10.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 2403172103483608699.10.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 2403172103483608699 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=-20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=0
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=20
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=40
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=60
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=80
2403172103483608699.eigenfacs
2403172103483608699.atom
calculating perturbed structure for DQ=100
2403172103483608699.eigenfacs
2403172103483608699.atom
making animated gifs
11 models are in 2403172103483608699.11.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 2403172103483608699.11.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 2403172103483608699.11.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
2403172103483608699.10.pdb
2403172103483608699.11.pdb
2403172103483608699.7.pdb
2403172103483608699.8.pdb
2403172103483608699.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m49.246s
user 1m48.186s
sys 0m0.244s
../../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: 2403172103483608699.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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