*** 1OVA_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000 ***
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 = 240220091035158365.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 240220091035158365.atom to be opened.
Openam> File opened: 240220091035158365.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 = 383
First residue number = 1
Last residue number = 383
Number of atoms found = 2984
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 0.071180 +/- 15.471364 From: -34.594000 To: 40.062000
= -0.788845 +/- 9.512086 From: -26.609000 To: 21.875000
= 1.342450 +/- 11.980268 From: -27.688000 To: 27.609000
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 2.8266 % Filled.
Pdbmat> 1132711 non-zero elements.
Pdbmat> 124008 atom-atom interactions.
Pdbmat> Number per atom= 83.12 +/- 22.43
Maximum number = 126
Minimum number = 17
Pdbmat> Matrix trace = 2.480160E+06
Pdbmat> Larger element = 477.338
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
383 non-zero elements, NRBL set to 2
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 = 240220091035158365.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240220091035158365.atom to be opened.
Openam> file on opening on unit 11:
240220091035158365.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2984 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 383 residues.
Blocpdb> 10 atoms in block 1
Block first atom: 1
Blocpdb> 12 atoms in block 2
Block first atom: 11
Blocpdb> 10 atoms in block 3
Block first atom: 23
Blocpdb> 14 atoms in block 4
Block first atom: 33
Blocpdb> 20 atoms in block 5
Block first atom: 47
Blocpdb> 17 atoms in block 6
Block first atom: 67
Blocpdb> 15 atoms in block 7
Block first atom: 84
Blocpdb> 20 atoms in block 8
Block first atom: 99
Blocpdb> 17 atoms in block 9
Block first atom: 119
Blocpdb> 16 atoms in block 10
Block first atom: 136
Blocpdb> 20 atoms in block 11
Block first atom: 152
Blocpdb> 13 atoms in block 12
Block first atom: 172
Blocpdb> 17 atoms in block 13
Block first atom: 185
Blocpdb> 19 atoms in block 14
Block first atom: 202
Blocpdb> 18 atoms in block 15
Block first atom: 221
Blocpdb> 15 atoms in block 16
Block first atom: 239
Blocpdb> 13 atoms in block 17
Block first atom: 254
Blocpdb> 14 atoms in block 18
Block first atom: 267
Blocpdb> 13 atoms in block 19
Block first atom: 281
Blocpdb> 13 atoms in block 20
Block first atom: 294
Blocpdb> 19 atoms in block 21
Block first atom: 307
Blocpdb> 12 atoms in block 22
Block first atom: 326
Blocpdb> 14 atoms in block 23
Block first atom: 338
Blocpdb> 14 atoms in block 24
Block first atom: 352
Blocpdb> 18 atoms in block 25
Block first atom: 366
Blocpdb> 16 atoms in block 26
Block first atom: 384
Blocpdb> 16 atoms in block 27
Block first atom: 400
Blocpdb> 16 atoms in block 28
Block first atom: 416
Blocpdb> 18 atoms in block 29
Block first atom: 432
Blocpdb> 19 atoms in block 30
Block first atom: 450
Blocpdb> 17 atoms in block 31
Block first atom: 469
Blocpdb> 11 atoms in block 32
Block first atom: 486
Blocpdb> 15 atoms in block 33
Block first atom: 497
Blocpdb> 16 atoms in block 34
Block first atom: 512
Blocpdb> 14 atoms in block 35
Block first atom: 528
Blocpdb> 15 atoms in block 36
Block first atom: 542
Blocpdb> 11 atoms in block 37
Block first atom: 557
Blocpdb> 13 atoms in block 38
Block first atom: 568
Blocpdb> 15 atoms in block 39
Block first atom: 581
Blocpdb> 16 atoms in block 40
Block first atom: 596
Blocpdb> 14 atoms in block 41
Block first atom: 612
Blocpdb> 19 atoms in block 42
Block first atom: 626
Blocpdb> 16 atoms in block 43
Block first atom: 645
Blocpdb> 17 atoms in block 44
Block first atom: 661
Blocpdb> 15 atoms in block 45
Block first atom: 678
Blocpdb> 16 atoms in block 46
Block first atom: 693
Blocpdb> 16 atoms in block 47
Block first atom: 709
Blocpdb> 19 atoms in block 48
Block first atom: 725
Blocpdb> 17 atoms in block 49
Block first atom: 744
Blocpdb> 14 atoms in block 50
Block first atom: 761
Blocpdb> 11 atoms in block 51
Block first atom: 775
Blocpdb> 19 atoms in block 52
Block first atom: 786
Blocpdb> 17 atoms in block 53
Block first atom: 805
Blocpdb> 18 atoms in block 54
Block first atom: 822
Blocpdb> 23 atoms in block 55
Block first atom: 840
Blocpdb> 15 atoms in block 56
Block first atom: 863
Blocpdb> 15 atoms in block 57
Block first atom: 878
Blocpdb> 21 atoms in block 58
Block first atom: 893
Blocpdb> 17 atoms in block 59
Block first atom: 914
Blocpdb> 13 atoms in block 60
Block first atom: 931
Blocpdb> 18 atoms in block 61
Block first atom: 944
Blocpdb> 20 atoms in block 62
Block first atom: 962
Blocpdb> 15 atoms in block 63
Block first atom: 982
Blocpdb> 12 atoms in block 64
Block first atom: 997
Blocpdb> 16 atoms in block 65
Block first atom: 1009
Blocpdb> 16 atoms in block 66
Block first atom: 1025
Blocpdb> 20 atoms in block 67
Block first atom: 1041
Blocpdb> 12 atoms in block 68
Block first atom: 1061
Blocpdb> 13 atoms in block 69
Block first atom: 1073
Blocpdb> 14 atoms in block 70
Block first atom: 1086
Blocpdb> 20 atoms in block 71
Block first atom: 1100
Blocpdb> 16 atoms in block 72
Block first atom: 1120
Blocpdb> 14 atoms in block 73
Block first atom: 1136
Blocpdb> 21 atoms in block 74
Block first atom: 1150
Blocpdb> 15 atoms in block 75
Block first atom: 1171
Blocpdb> 16 atoms in block 76
Block first atom: 1186
Blocpdb> 12 atoms in block 77
Block first atom: 1202
Blocpdb> 16 atoms in block 78
Block first atom: 1214
Blocpdb> 19 atoms in block 79
Block first atom: 1230
Blocpdb> 15 atoms in block 80
Block first atom: 1249
Blocpdb> 16 atoms in block 81
Block first atom: 1264
Blocpdb> 12 atoms in block 82
Block first atom: 1280
Blocpdb> 15 atoms in block 83
Block first atom: 1292
Blocpdb> 15 atoms in block 84
Block first atom: 1307
Blocpdb> 12 atoms in block 85
Block first atom: 1322
Blocpdb> 15 atoms in block 86
Block first atom: 1334
Blocpdb> 15 atoms in block 87
Block first atom: 1349
Blocpdb> 13 atoms in block 88
Block first atom: 1364
Blocpdb> 15 atoms in block 89
Block first atom: 1377
Blocpdb> 20 atoms in block 90
Block first atom: 1392
Blocpdb> 12 atoms in block 91
Block first atom: 1412
Blocpdb> 23 atoms in block 92
Block first atom: 1424
Blocpdb> 14 atoms in block 93
Block first atom: 1447
Blocpdb> 20 atoms in block 94
Block first atom: 1461
Blocpdb> 17 atoms in block 95
Block first atom: 1481
Blocpdb> 15 atoms in block 96
Block first atom: 1498
Blocpdb> 14 atoms in block 97
Block first atom: 1513
Blocpdb> 15 atoms in block 98
Block first atom: 1527
Blocpdb> 22 atoms in block 99
Block first atom: 1542
Blocpdb> 14 atoms in block 100
Block first atom: 1564
Blocpdb> 18 atoms in block 101
Block first atom: 1578
Blocpdb> 15 atoms in block 102
Block first atom: 1596
Blocpdb> 16 atoms in block 103
Block first atom: 1611
Blocpdb> 16 atoms in block 104
Block first atom: 1627
Blocpdb> 16 atoms in block 105
Block first atom: 1643
Blocpdb> 21 atoms in block 106
Block first atom: 1659
Blocpdb> 12 atoms in block 107
Block first atom: 1680
Blocpdb> 19 atoms in block 108
Block first atom: 1692
Blocpdb> 18 atoms in block 109
Block first atom: 1711
Blocpdb> 11 atoms in block 110
Block first atom: 1729
Blocpdb> 13 atoms in block 111
Block first atom: 1740
Blocpdb> 15 atoms in block 112
Block first atom: 1753
Blocpdb> 17 atoms in block 113
Block first atom: 1768
Blocpdb> 17 atoms in block 114
Block first atom: 1785
Blocpdb> 17 atoms in block 115
Block first atom: 1802
Blocpdb> 15 atoms in block 116
Block first atom: 1819
Blocpdb> 16 atoms in block 117
Block first atom: 1834
Blocpdb> 10 atoms in block 118
Block first atom: 1850
Blocpdb> 15 atoms in block 119
Block first atom: 1860
Blocpdb> 14 atoms in block 120
Block first atom: 1875
Blocpdb> 15 atoms in block 121
Block first atom: 1889
Blocpdb> 16 atoms in block 122
Block first atom: 1904
Blocpdb> 15 atoms in block 123
Block first atom: 1920
Blocpdb> 16 atoms in block 124
Block first atom: 1935
Blocpdb> 10 atoms in block 125
Block first atom: 1951
Blocpdb> 17 atoms in block 126
Block first atom: 1961
Blocpdb> 17 atoms in block 127
Block first atom: 1978
Blocpdb> 15 atoms in block 128
Block first atom: 1995
Blocpdb> 16 atoms in block 129
Block first atom: 2010
Blocpdb> 19 atoms in block 130
Block first atom: 2026
Blocpdb> 18 atoms in block 131
Block first atom: 2045
Blocpdb> 15 atoms in block 132
Block first atom: 2063
Blocpdb> 23 atoms in block 133
Block first atom: 2078
Blocpdb> 13 atoms in block 134
Block first atom: 2101
Blocpdb> 14 atoms in block 135
Block first atom: 2114
Blocpdb> 15 atoms in block 136
Block first atom: 2128
Blocpdb> 18 atoms in block 137
Block first atom: 2143
Blocpdb> 20 atoms in block 138
Block first atom: 2161
Blocpdb> 17 atoms in block 139
Block first atom: 2181
Blocpdb> 19 atoms in block 140
Block first atom: 2198
Blocpdb> 15 atoms in block 141
Block first atom: 2217
Blocpdb> 19 atoms in block 142
Block first atom: 2232
Blocpdb> 17 atoms in block 143
Block first atom: 2251
Blocpdb> 18 atoms in block 144
Block first atom: 2268
Blocpdb> 21 atoms in block 145
Block first atom: 2286
Blocpdb> 16 atoms in block 146
Block first atom: 2307
Blocpdb> 13 atoms in block 147
Block first atom: 2323
Blocpdb> 15 atoms in block 148
Block first atom: 2336
Blocpdb> 13 atoms in block 149
Block first atom: 2351
Blocpdb> 12 atoms in block 150
Block first atom: 2364
Blocpdb> 15 atoms in block 151
Block first atom: 2376
Blocpdb> 15 atoms in block 152
Block first atom: 2391
Blocpdb> 17 atoms in block 153
Block first atom: 2406
Blocpdb> 12 atoms in block 154
Block first atom: 2423
Blocpdb> 13 atoms in block 155
Block first atom: 2435
Blocpdb> 14 atoms in block 156
Block first atom: 2448
Blocpdb> 12 atoms in block 157
Block first atom: 2462
Blocpdb> 12 atoms in block 158
Block first atom: 2474
Blocpdb> 14 atoms in block 159
Block first atom: 2486
Blocpdb> 14 atoms in block 160
Block first atom: 2500
Blocpdb> 17 atoms in block 161
Block first atom: 2514
Blocpdb> 15 atoms in block 162
Block first atom: 2531
Blocpdb> 12 atoms in block 163
Block first atom: 2546
Blocpdb> 15 atoms in block 164
Block first atom: 2558
Blocpdb> 15 atoms in block 165
Block first atom: 2573
Blocpdb> 14 atoms in block 166
Block first atom: 2588
Blocpdb> 16 atoms in block 167
Block first atom: 2602
Blocpdb> 14 atoms in block 168
Block first atom: 2618
Blocpdb> 15 atoms in block 169
Block first atom: 2632
Blocpdb> 16 atoms in block 170
Block first atom: 2647
Blocpdb> 11 atoms in block 171
Block first atom: 2663
Blocpdb> 14 atoms in block 172
Block first atom: 2674
Blocpdb> 9 atoms in block 173
Block first atom: 2688
Blocpdb> 15 atoms in block 174
Block first atom: 2697
Blocpdb> 10 atoms in block 175
Block first atom: 2712
Blocpdb> 13 atoms in block 176
Block first atom: 2722
Blocpdb> 15 atoms in block 177
Block first atom: 2735
Blocpdb> 20 atoms in block 178
Block first atom: 2750
Blocpdb> 16 atoms in block 179
Block first atom: 2770
Blocpdb> 18 atoms in block 180
Block first atom: 2786
Blocpdb> 18 atoms in block 181
Block first atom: 2804
Blocpdb> 19 atoms in block 182
Block first atom: 2822
Blocpdb> 14 atoms in block 183
Block first atom: 2841
Blocpdb> 19 atoms in block 184
Block first atom: 2855
Blocpdb> 13 atoms in block 185
Block first atom: 2874
Blocpdb> 15 atoms in block 186
Block first atom: 2887
Blocpdb> 12 atoms in block 187
Block first atom: 2902
Blocpdb> 19 atoms in block 188
Block first atom: 2914
Blocpdb> 15 atoms in block 189
Block first atom: 2933
Blocpdb> 17 atoms in block 190
Block first atom: 2948
Blocpdb> 13 atoms in block 191
Block first atom: 2965
Blocpdb> 7 atoms in block 192
Block first atom: 2977
Blocpdb> 192 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 7 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> 1132903 matrix lines read.
Prepmat> Matrix order = 8952
Prepmat> Matrix trace = 2480160.0000
Prepmat> Last element read: 8952 8952 376.6267
Prepmat> 18529 lines saved.
Prepmat> 16359 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: 2984
RTB> Total mass = 2984.0000
RTB> Number of atoms found in matrix: 2984
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 269462.1996
RTB> 75193 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: 75193
Diagstd> Projected matrix trace = 269462.1996
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 = 269462.1996
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 2.2537864 2.5249230 3.1788400 5.6254055
7.2439890 7.8261501 8.2205653 8.8633764 9.6340611
10.9851420 11.2361040 11.5070889 13.0412864 13.5257570
15.0552059 16.2240808 16.6802510 17.5424114 18.1298338
18.7734228 19.3066127 19.4924542 21.1807081 21.4817583
21.7474342 22.6059679 23.3099375 24.1800094 24.4188499
25.4398071 25.5862325 26.7253543 26.8009573 27.3429688
28.3593424 28.8619036 29.1193145 30.1967119 30.4852713
31.4005792 31.8583911 32.5649189 33.7544231 34.0629231
34.1070606 34.6172818 35.0731441 35.9581251 36.5565436
36.7294071 38.0137148 38.5633437 39.0709998 39.6532408
39.9673363 40.8227747 41.3336192 41.5861682 42.1642944
43.5463511 44.0161973 44.3047925 45.4820311 45.7106411
46.3684791 47.0325757 47.8202634 48.4815925 48.6115222
49.8848182 50.0696143 50.4746985 51.2988697 51.7004255
52.1539233 52.4420402 52.8115387 53.2983893 54.1293286
54.7464816 55.1270527 56.1670324 56.5787469 56.7864009
57.6139651 58.1412818 58.2101612 58.8135085 59.0816438
60.3599109 60.9886515 61.2759177 61.8259268 62.3055287
62.8845804 63.1890764 63.5799505 64.0742171 65.0172432
65.3316407
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034333 0.0034334 0.0034336 0.0034340
0.0034342 163.0240405 172.5517428 193.6108169 257.5563114
292.2699535 303.7871278 311.3480298 323.2919399 337.0543826
359.9134850 364.0014851 368.3647067 392.1529592 399.3705821
421.3457624 437.3965270 443.5030093 454.8203903 462.3727082
470.5079987 477.1427423 479.4336821 499.7646322 503.3037817
506.4065247 516.3055979 524.2830716 533.9781825 536.6089146
547.7119133 549.2859004 561.3801034 562.1735827 567.8297122
578.2869051 583.3883689 585.9841291 596.7262025 599.5705766
608.5049421 612.9248085 619.6839965 630.9001419 633.7766540
634.1871334 638.9130547 643.1061018 651.1691240 656.5651753
658.1156810 669.5229008 674.3457456 678.7698486 683.8087033
686.5116042 693.8195618 698.1471946 700.2767916 705.1275749
716.5906961 720.4461754 722.8041442 732.3441317 734.1823442
739.4464117 744.7228203 750.9331250 756.1078005 757.1203001
766.9719435 768.3912369 771.4932794 777.7664019 780.8045567
784.2215501 786.3847263 789.1502362 792.7793381 798.9352820
803.4768844 806.2647400 813.8343553 816.8116864 818.3092345
824.2503933 828.0138120 828.5041370 832.7867835 834.6829941
843.6641120 848.0467533 850.0416238 853.8480636 857.1534410
861.1273127 863.2096449 865.8753434 869.2344582 875.6076670
877.7221591
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2984
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: 9.9906E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.254
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.525
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.179
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.625
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.244
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.826
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.221
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.863
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.634
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.99
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.24
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.53
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.68
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.54
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.13
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.31
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.49
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 21.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.75
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.61
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.31
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.18
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.42
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.44
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.59
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.73
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 27.34
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 28.86
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 29.12
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.20
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 30.49
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 31.40
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 31.86
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 32.56
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 34.11
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 34.62
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.07
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 35.96
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 36.73
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.01
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.56
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 40.82
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 41.33
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 41.59
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 42.16
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 43.55
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 44.02
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 44.30
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 45.48
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 45.71
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 46.37
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 47.03
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 47.82
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 48.48
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 48.61
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 49.88
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 50.47
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 51.30
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 51.70
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 52.15
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 52.44
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 52.81
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 53.30
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 54.13
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 54.75
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 55.13
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 56.17
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 56.58
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 56.79
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 57.61
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 58.14
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 58.21
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.81
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 59.08
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 60.36
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 60.99
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 61.28
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 61.83
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 62.31
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 62.88
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 63.19
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.58
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 64.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 65.02
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 65.33
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 1.00001 0.99999 1.00000
1.00000 1.00002 0.99999 1.00000 0.99998
1.00000 1.00000 1.00003 1.00002 1.00000
1.00003 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 0.99999 0.99999 1.00001
0.99997 0.99999 0.99999 0.99999 1.00000
0.99998 1.00000 0.99999 1.00001 0.99998
1.00001 0.99996 1.00000 0.99999 1.00000
0.99999 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 1.00003 0.99998
1.00000 0.99998 0.99999 1.00002 0.99999
1.00000 1.00002 1.00000 1.00000 0.99999
1.00001 0.99998 0.99999 0.99999 1.00000
0.99999 1.00000 1.00001 0.99999 1.00000
1.00000 1.00000 1.00001 1.00001 1.00000
0.99999 1.00001 1.00002 1.00001 0.99999
1.00002 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00002 0.99998 1.00000 1.00000 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 53712 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00002 1.00001 0.99999 1.00000
1.00000 1.00002 0.99999 1.00000 0.99998
1.00000 1.00000 1.00003 1.00002 1.00000
1.00003 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 0.99999 0.99999 1.00001
0.99997 0.99999 0.99999 0.99999 1.00000
0.99998 1.00000 0.99999 1.00001 0.99998
1.00001 0.99996 1.00000 0.99999 1.00000
0.99999 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 1.00003 0.99998
1.00000 0.99998 0.99999 1.00002 0.99999
1.00000 1.00002 1.00000 1.00000 0.99999
1.00001 0.99998 0.99999 0.99999 1.00000
0.99999 1.00000 1.00001 0.99999 1.00000
1.00000 1.00000 1.00001 1.00001 1.00000
0.99999 1.00001 1.00002 1.00001 0.99999
1.00002 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00002 0.99998 1.00000 1.00000 1.00001
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6:-0.000 0.000 0.000-0.000-0.000
Vector 7: 0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Vector 9:-0.000 0.000-0.000 0.000-0.000 0.000 0.000-0.000
Vector 10: 0.000 0.000-0.000-0.000 0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240220091035158365.eigenfacs
Openam> file on opening on unit 10:
240220091035158365.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240220091035158365.atom
Openam> file on opening on unit 11:
240220091035158365.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 = 383
First residue number = 1
Last residue number = 383
Number of atoms found = 2984
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9906E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 27.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 28.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 29.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 30.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 31.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 31.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 32.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 34.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 34.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 35.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 36.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 40.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 41.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 41.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 43.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 44.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 44.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 45.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 45.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 46.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 47.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 47.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 48.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 48.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 49.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 50.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 51.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 51.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 52.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 52.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 52.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 53.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 54.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 54.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 55.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 56.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 56.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 56.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 57.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 58.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 58.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 59.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 60.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 60.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 61.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 61.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 62.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 62.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 63.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 64.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 65.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 65.33
Bfactors> 106 vectors, 8952 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 : 2.254000
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= -0.637 for 383 C-alpha atoms.
Bfactors> = 0.023 +/- 0.03
Bfactors> = 92.751 +/- 10.90
Bfactors> Shiftng-fct= 92.728
Bfactors> Scaling-fct= 388.748
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240220091035158365 7 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 8
running: ../../bin/get_modes.sh 240220091035158365 8 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 9
running: ../../bin/get_modes.sh 240220091035158365 9 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 10
running: ../../bin/get_modes.sh 240220091035158365 10 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 11
running: ../../bin/get_modes.sh 240220091035158365 11 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 12
running: ../../bin/get_modes.sh 240220091035158365 12 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 13
running: ../../bin/get_modes.sh 240220091035158365 13 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 14
running: ../../bin/get_modes.sh 240220091035158365 14 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 15
running: ../../bin/get_modes.sh 240220091035158365 15 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
getting mode 16
running: ../../bin/get_modes.sh 240220091035158365 16 -100 100 20 0 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=-20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=0
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=20
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=40
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=60
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=80
240220091035158365.eigenfacs
240220091035158365.atom
calculating perturbed structure for DQ=100
240220091035158365.eigenfacs
240220091035158365.atom
240220091035158365.10.pdb
240220091035158365.11.pdb
240220091035158365.12.pdb
240220091035158365.13.pdb
240220091035158365.14.pdb
240220091035158365.15.pdb
240220091035158365.16.pdb
240220091035158365.7.pdb
240220091035158365.8.pdb
240220091035158365.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.154s
user 0m25.102s
sys 0m0.052s
../../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: 240220091035158365.Chkmod.res: No such file or directory
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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