*** 01-JUN-22 ***
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 = 240221025813253280.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 240221025813253280.atom to be opened.
Openam> File opened: 240221025813253280.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 = 328
First residue number = 1
Last residue number = 328
Number of atoms found = 2660
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 0.819444 +/- 14.792168 From: -34.524000 To: 35.179000
= 1.357653 +/- 10.795185 From: -33.501000 To: 43.299000
= 0.641083 +/- 15.878255 From: -42.746000 To: 37.131000
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 2.8684 % Filled.
Pdbmat> 913424 non-zero elements.
Pdbmat> 99731 atom-atom interactions.
Pdbmat> Number per atom= 74.99 +/- 23.87
Maximum number = 131
Minimum number = 7
Pdbmat> Matrix trace = 1.994620E+06
Pdbmat> Larger element = 483.917
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
328 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 = 240221025813253280.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 240221025813253280.atom to be opened.
Openam> file on opening on unit 11:
240221025813253280.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2660 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> 328 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 14
Blocpdb> 11 atoms in block 3
Block first atom: 28
Blocpdb> 16 atoms in block 4
Block first atom: 39
Blocpdb> 17 atoms in block 5
Block first atom: 55
Blocpdb> 17 atoms in block 6
Block first atom: 72
Blocpdb> 16 atoms in block 7
Block first atom: 89
Blocpdb> 11 atoms in block 8
Block first atom: 105
Blocpdb> 16 atoms in block 9
Block first atom: 116
Blocpdb> 14 atoms in block 10
Block first atom: 132
Blocpdb> 15 atoms in block 11
Block first atom: 146
Blocpdb> 16 atoms in block 12
Block first atom: 161
Blocpdb> 13 atoms in block 13
Block first atom: 177
Blocpdb> 16 atoms in block 14
Block first atom: 190
Blocpdb> 14 atoms in block 15
Block first atom: 206
Blocpdb> 15 atoms in block 16
Block first atom: 220
Blocpdb> 14 atoms in block 17
Block first atom: 235
Blocpdb> 13 atoms in block 18
Block first atom: 249
Blocpdb> 19 atoms in block 19
Block first atom: 262
Blocpdb> 14 atoms in block 20
Block first atom: 281
Blocpdb> 14 atoms in block 21
Block first atom: 295
Blocpdb> 22 atoms in block 22
Block first atom: 309
Blocpdb> 19 atoms in block 23
Block first atom: 331
Blocpdb> 16 atoms in block 24
Block first atom: 350
Blocpdb> 11 atoms in block 25
Block first atom: 366
Blocpdb> 18 atoms in block 26
Block first atom: 377
Blocpdb> 13 atoms in block 27
Block first atom: 395
Blocpdb> 17 atoms in block 28
Block first atom: 408
Blocpdb> 16 atoms in block 29
Block first atom: 425
Blocpdb> 17 atoms in block 30
Block first atom: 441
Blocpdb> 18 atoms in block 31
Block first atom: 458
Blocpdb> 21 atoms in block 32
Block first atom: 476
Blocpdb> 18 atoms in block 33
Block first atom: 497
Blocpdb> 18 atoms in block 34
Block first atom: 515
Blocpdb> 13 atoms in block 35
Block first atom: 533
Blocpdb> 18 atoms in block 36
Block first atom: 546
Blocpdb> 14 atoms in block 37
Block first atom: 564
Blocpdb> 19 atoms in block 38
Block first atom: 578
Blocpdb> 17 atoms in block 39
Block first atom: 597
Blocpdb> 16 atoms in block 40
Block first atom: 614
Blocpdb> 19 atoms in block 41
Block first atom: 630
Blocpdb> 15 atoms in block 42
Block first atom: 649
Blocpdb> 13 atoms in block 43
Block first atom: 664
Blocpdb> 16 atoms in block 44
Block first atom: 677
Blocpdb> 17 atoms in block 45
Block first atom: 693
Blocpdb> 15 atoms in block 46
Block first atom: 710
Blocpdb> 15 atoms in block 47
Block first atom: 725
Blocpdb> 15 atoms in block 48
Block first atom: 740
Blocpdb> 16 atoms in block 49
Block first atom: 755
Blocpdb> 12 atoms in block 50
Block first atom: 771
Blocpdb> 22 atoms in block 51
Block first atom: 783
Blocpdb> 15 atoms in block 52
Block first atom: 805
Blocpdb> 16 atoms in block 53
Block first atom: 820
Blocpdb> 26 atoms in block 54
Block first atom: 836
Blocpdb> 9 atoms in block 55
Block first atom: 862
Blocpdb> 17 atoms in block 56
Block first atom: 871
Blocpdb> 14 atoms in block 57
Block first atom: 888
Blocpdb> 16 atoms in block 58
Block first atom: 902
Blocpdb> 14 atoms in block 59
Block first atom: 918
Blocpdb> 20 atoms in block 60
Block first atom: 932
Blocpdb> 17 atoms in block 61
Block first atom: 952
Blocpdb> 17 atoms in block 62
Block first atom: 969
Blocpdb> 20 atoms in block 63
Block first atom: 986
Blocpdb> 12 atoms in block 64
Block first atom: 1006
Blocpdb> 16 atoms in block 65
Block first atom: 1018
Blocpdb> 16 atoms in block 66
Block first atom: 1034
Blocpdb> 14 atoms in block 67
Block first atom: 1050
Blocpdb> 14 atoms in block 68
Block first atom: 1064
Blocpdb> 16 atoms in block 69
Block first atom: 1078
Blocpdb> 17 atoms in block 70
Block first atom: 1094
Blocpdb> 13 atoms in block 71
Block first atom: 1111
Blocpdb> 15 atoms in block 72
Block first atom: 1124
Blocpdb> 18 atoms in block 73
Block first atom: 1139
Blocpdb> 13 atoms in block 74
Block first atom: 1157
Blocpdb> 17 atoms in block 75
Block first atom: 1170
Blocpdb> 14 atoms in block 76
Block first atom: 1187
Blocpdb> 15 atoms in block 77
Block first atom: 1201
Blocpdb> 11 atoms in block 78
Block first atom: 1216
Blocpdb> 15 atoms in block 79
Block first atom: 1227
Blocpdb> 15 atoms in block 80
Block first atom: 1242
Blocpdb> 12 atoms in block 81
Block first atom: 1257
Blocpdb> 19 atoms in block 82
Block first atom: 1269
Blocpdb> 16 atoms in block 83
Block first atom: 1288
Blocpdb> 12 atoms in block 84
Block first atom: 1304
Blocpdb> 18 atoms in block 85
Block first atom: 1316
Blocpdb> 9 atoms in block 86
Block first atom: 1334
Blocpdb> 16 atoms in block 87
Block first atom: 1343
Blocpdb> 20 atoms in block 88
Block first atom: 1359
Blocpdb> 19 atoms in block 89
Block first atom: 1379
Blocpdb> 19 atoms in block 90
Block first atom: 1398
Blocpdb> 18 atoms in block 91
Block first atom: 1417
Blocpdb> 13 atoms in block 92
Block first atom: 1435
Blocpdb> 14 atoms in block 93
Block first atom: 1448
Blocpdb> 10 atoms in block 94
Block first atom: 1462
Blocpdb> 16 atoms in block 95
Block first atom: 1472
Blocpdb> 16 atoms in block 96
Block first atom: 1488
Blocpdb> 17 atoms in block 97
Block first atom: 1504
Blocpdb> 15 atoms in block 98
Block first atom: 1521
Blocpdb> 14 atoms in block 99
Block first atom: 1536
Blocpdb> 16 atoms in block 100
Block first atom: 1550
Blocpdb> 17 atoms in block 101
Block first atom: 1566
Blocpdb> 15 atoms in block 102
Block first atom: 1583
Blocpdb> 28 atoms in block 103
Block first atom: 1598
Blocpdb> 19 atoms in block 104
Block first atom: 1626
Blocpdb> 16 atoms in block 105
Block first atom: 1645
Blocpdb> 20 atoms in block 106
Block first atom: 1661
Blocpdb> 22 atoms in block 107
Block first atom: 1681
Blocpdb> 18 atoms in block 108
Block first atom: 1703
Blocpdb> 12 atoms in block 109
Block first atom: 1721
Blocpdb> 19 atoms in block 110
Block first atom: 1733
Blocpdb> 16 atoms in block 111
Block first atom: 1752
Blocpdb> 15 atoms in block 112
Block first atom: 1768
Blocpdb> 19 atoms in block 113
Block first atom: 1783
Blocpdb> 16 atoms in block 114
Block first atom: 1802
Blocpdb> 14 atoms in block 115
Block first atom: 1818
Blocpdb> 13 atoms in block 116
Block first atom: 1832
Blocpdb> 17 atoms in block 117
Block first atom: 1845
Blocpdb> 19 atoms in block 118
Block first atom: 1862
Blocpdb> 15 atoms in block 119
Block first atom: 1881
Blocpdb> 18 atoms in block 120
Block first atom: 1896
Blocpdb> 15 atoms in block 121
Block first atom: 1914
Blocpdb> 19 atoms in block 122
Block first atom: 1929
Blocpdb> 15 atoms in block 123
Block first atom: 1948
Blocpdb> 19 atoms in block 124
Block first atom: 1963
Blocpdb> 17 atoms in block 125
Block first atom: 1982
Blocpdb> 16 atoms in block 126
Block first atom: 1999
Blocpdb> 15 atoms in block 127
Block first atom: 2015
Blocpdb> 17 atoms in block 128
Block first atom: 2030
Blocpdb> 16 atoms in block 129
Block first atom: 2047
Blocpdb> 18 atoms in block 130
Block first atom: 2063
Blocpdb> 16 atoms in block 131
Block first atom: 2081
Blocpdb> 17 atoms in block 132
Block first atom: 2097
Blocpdb> 15 atoms in block 133
Block first atom: 2114
Blocpdb> 17 atoms in block 134
Block first atom: 2129
Blocpdb> 14 atoms in block 135
Block first atom: 2146
Blocpdb> 16 atoms in block 136
Block first atom: 2160
Blocpdb> 12 atoms in block 137
Block first atom: 2176
Blocpdb> 17 atoms in block 138
Block first atom: 2188
Blocpdb> 14 atoms in block 139
Block first atom: 2205
Blocpdb> 20 atoms in block 140
Block first atom: 2219
Blocpdb> 14 atoms in block 141
Block first atom: 2239
Blocpdb> 24 atoms in block 142
Block first atom: 2253
Blocpdb> 15 atoms in block 143
Block first atom: 2277
Blocpdb> 12 atoms in block 144
Block first atom: 2292
Blocpdb> 26 atoms in block 145
Block first atom: 2304
Blocpdb> 25 atoms in block 146
Block first atom: 2330
Blocpdb> 15 atoms in block 147
Block first atom: 2355
Blocpdb> 17 atoms in block 148
Block first atom: 2370
Blocpdb> 16 atoms in block 149
Block first atom: 2387
Blocpdb> 19 atoms in block 150
Block first atom: 2403
Blocpdb> 14 atoms in block 151
Block first atom: 2422
Blocpdb> 14 atoms in block 152
Block first atom: 2436
Blocpdb> 18 atoms in block 153
Block first atom: 2450
Blocpdb> 22 atoms in block 154
Block first atom: 2468
Blocpdb> 19 atoms in block 155
Block first atom: 2490
Blocpdb> 16 atoms in block 156
Block first atom: 2509
Blocpdb> 19 atoms in block 157
Block first atom: 2525
Blocpdb> 15 atoms in block 158
Block first atom: 2544
Blocpdb> 17 atoms in block 159
Block first atom: 2559
Blocpdb> 15 atoms in block 160
Block first atom: 2576
Blocpdb> 16 atoms in block 161
Block first atom: 2591
Blocpdb> 16 atoms in block 162
Block first atom: 2607
Blocpdb> 23 atoms in block 163
Block first atom: 2623
Blocpdb> 15 atoms in block 164
Block first atom: 2645
Blocpdb> 164 blocks.
Blocpdb> At most, 28 atoms in each of them.
Blocpdb> At least, 9 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 913588 matrix lines read.
Prepmat> Matrix order = 7980
Prepmat> Matrix trace = 1994620.0000
Prepmat> Last element read: 7980 7980 158.5074
Prepmat> 13531 lines saved.
Prepmat> 11977 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: 2660
RTB> Total mass = 2660.0000
RTB> Number of atoms found in matrix: 2660
RTB> Number of blocks = 164
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 202136.3920
RTB> 53448 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 = 984
Diagstd> Nb of non-zero elements: 53448
Diagstd> Projected matrix trace = 202136.3920
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 202136.3920
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 0.0189854 0.0395884 0.2493931 0.3970808
0.4973909 0.5230899 0.8164698 1.1204189 1.2265049
1.3918629 1.8978866 2.1262309 2.4908158 2.6872555
2.9121184 3.1159996 3.2248798 3.5851256 3.8826604
4.4063533 4.5621321 5.1127602 5.3192375 5.6515141
6.2144128 7.0030278 7.3288321 7.5303224 8.3255185
9.0555996 9.3464306 9.9158115 10.3458036 10.6575965
10.9676689 11.0490117 11.5391954 11.8604573 12.2675114
12.6714057 13.0066924 14.0400244 14.1811056 14.7901952
15.5619095 16.2964760 16.4541991 16.8430907 17.9885757
18.0043288 18.7449707 19.0787444 19.4204140 19.5844041
20.0449226 20.2425043 20.9688244 21.4134861 21.9437187
22.3883316 23.3485087 23.3625956 23.9693997 24.4620888
24.6157744 25.4933584 25.5813665 25.7340166 26.6489809
27.1008737 27.7631871 28.3883095 28.6590582 29.1147076
29.3934351 29.7633261 30.2513424 31.0292207 31.4121494
31.8731985 32.2605765 32.8396831 33.1930259 33.5817686
34.2910081 35.2088129 35.5701111 35.6405684 36.4883335
36.8844840 37.1511677 37.4129152 39.0522468 39.6693876
39.9675876 40.3064562 40.6409538 41.7147379 42.0799310
42.4053760
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034326 0.0034328 0.0034338 0.0034345
0.0034353 14.9625389 21.6062421 54.2297398 68.4281421
76.5850844 78.5386558 98.1217646 114.9437837 120.2624150
128.1130917 149.5995936 158.3435937 171.3823483 178.0121966
185.3104015 191.6875802 195.0078278 205.6115311 213.9734951
227.9475555 231.9418987 245.5404192 250.4493859 258.1533044
270.7044097 287.3678678 293.9765339 297.9902577 313.3292410
326.7788101 331.9847801 341.9474824 349.2829571 354.5070834
359.6271287 360.9582703 368.8782460 373.9779511 380.3413249
386.5517800 391.6324917 406.8920565 408.9312748 417.6209082
428.3775702 438.3713184 440.4875661 445.6625838 460.5679039
460.7695251 470.1513234 474.3186218 478.5469166 480.5631445
486.1804290 488.5706792 497.2586218 502.5033578 508.6867130
513.8142517 524.7166598 524.8749259 531.6476022 537.0837955
538.7682967 548.2880822 549.2336663 550.8699326 560.5773979
565.3103367 572.1763988 578.5821697 581.3346872 585.9377737
588.7358090 592.4285938 597.2657432 604.8960027 608.6170400
613.0672323 616.7815052 622.2927759 625.6316382 629.2845404
635.8949949 644.3487221 647.6463031 648.2874154 655.9523538
659.5035482 661.8834385 664.2109869 678.6069337 683.9479124
686.5137625 689.4179528 692.2727328 701.3584597 704.4218031
707.1405456
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2660
Rtb_to_modes> Number of blocs = 164
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: 9.9866E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9921E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.8985E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.9588E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2494
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3971
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.4974
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.5231
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.8165
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.120
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.227
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.392
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.898
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.126
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.491
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.687
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.912
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 3.116
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.225
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.585
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.883
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.406
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.562
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.113
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 5.319
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.652
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 6.214
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.003
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.329
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.530
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 8.326
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.056
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.346
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.916
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.66
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.97
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.05
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.54
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.86
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.27
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 12.67
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 14.04
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 14.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.79
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 15.56
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.30
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.45
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.99
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 18.00
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.74
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.08
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.42
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.58
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.04
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.24
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 21.41
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.39
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 23.36
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 24.46
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 24.62
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.49
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.58
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.73
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.65
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 27.10
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.39
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 28.66
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 29.11
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 29.39
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 29.76
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.03
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.41
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.87
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 32.26
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.84
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 33.19
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 33.58
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 34.29
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.21
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.57
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.64
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.49
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 36.88
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 37.15
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 37.41
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 39.05
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.67
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 40.31
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.64
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 41.71
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 42.08
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.41
Rtb_to_modes> 106 vectors, with 984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99997 0.99999 1.00000 1.00000
0.99996 0.99999 1.00000 0.99999 1.00002
0.99999 0.99999 1.00002 0.99998 0.99999
1.00002 0.99999 0.99999 0.99996 0.99997
0.99996 1.00002 1.00003 1.00001 0.99997
1.00001 1.00003 1.00000 0.99998 0.99998
0.99997 1.00001 1.00000 1.00001 1.00001
1.00001 0.99997 0.99997 0.99999 1.00002
1.00001 1.00002 0.99996 0.99998 0.99999
1.00000 1.00001 1.00001 0.99999 0.99999
0.99999 0.99998 1.00003 1.00001 1.00000
1.00003 1.00003 0.99999 0.99999 1.00000
1.00002 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00001 1.00000 1.00000
1.00000 1.00001 0.99999 0.99999 0.99998
1.00002 1.00000 1.00001 0.99998 1.00001
1.00000 0.99999 1.00000 0.99999 0.99998
1.00001 1.00001 1.00000 1.00000 1.00004
1.00000 1.00001 1.00000 0.99999 0.99999
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 47880 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99997 0.99999 1.00000 1.00000
0.99996 0.99999 1.00000 0.99999 1.00002
0.99999 0.99999 1.00002 0.99998 0.99999
1.00002 0.99999 0.99999 0.99996 0.99997
0.99996 1.00002 1.00003 1.00001 0.99997
1.00001 1.00003 1.00000 0.99998 0.99998
0.99997 1.00001 1.00000 1.00001 1.00001
1.00001 0.99997 0.99997 0.99999 1.00002
1.00001 1.00002 0.99996 0.99998 0.99999
1.00000 1.00001 1.00001 0.99999 0.99999
0.99999 0.99998 1.00003 1.00001 1.00000
1.00003 1.00003 0.99999 0.99999 1.00000
1.00002 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00001 1.00000 1.00000
1.00000 1.00001 0.99999 0.99999 0.99998
1.00002 1.00000 1.00001 0.99998 1.00001
1.00000 0.99999 1.00000 0.99999 0.99998
1.00001 1.00001 1.00000 1.00000 1.00004
1.00000 1.00001 1.00000 0.99999 0.99999
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000
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> 240221025813253280.eigenfacs
Openam> file on opening on unit 10:
240221025813253280.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240221025813253280.atom
Openam> file on opening on unit 11:
240221025813253280.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 = 328
First residue number = 1
Last residue number = 328
Number of atoms found = 2660
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9866E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9921E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8985E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.9588E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 6.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 8.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 12.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 14.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 18.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 21.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 23.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 24.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 24.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 27.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 28.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 29.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 29.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 29.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 32.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 33.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 33.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 34.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 36.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 37.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 37.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 39.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 40.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 41.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 42.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.41
Bfactors> 106 vectors, 7980 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 : 0.018985
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= -0.332 for 328 C-alpha atoms.
Bfactors> = 0.602 +/- 4.65
Bfactors> = 84.333 +/- 16.70
Bfactors> Shiftng-fct= 83.731
Bfactors> Scaling-fct= 3.591
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240221025813253280 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=0
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=100
240221025813253280.eigenfacs
240221025813253280.atom
making animated gifs
11 models are in 240221025813253280.7.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 240221025813253280.7.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 240221025813253280.7.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 240221025813253280 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=0
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=100
240221025813253280.eigenfacs
240221025813253280.atom
making animated gifs
11 models are in 240221025813253280.8.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 240221025813253280.8.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 240221025813253280.8.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 240221025813253280 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=0
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=100
240221025813253280.eigenfacs
240221025813253280.atom
making animated gifs
11 models are in 240221025813253280.9.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 240221025813253280.9.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 240221025813253280.9.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 240221025813253280 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=0
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=100
240221025813253280.eigenfacs
240221025813253280.atom
making animated gifs
11 models are in 240221025813253280.10.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 240221025813253280.10.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 240221025813253280.10.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 240221025813253280 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=-20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=0
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=20
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=40
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=60
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=80
240221025813253280.eigenfacs
240221025813253280.atom
calculating perturbed structure for DQ=100
240221025813253280.eigenfacs
240221025813253280.atom
making animated gifs
11 models are in 240221025813253280.11.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 240221025813253280.11.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 240221025813253280.11.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
240221025813253280.10.pdb
240221025813253280.11.pdb
240221025813253280.7.pdb
240221025813253280.8.pdb
240221025813253280.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.405s
user 0m15.340s
sys 0m0.036s
../../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: 240221025813253280.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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