*** 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 = 240111195659789886.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 240111195659789886.atom to be opened.
Openam> File opened: 240111195659789886.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 = 378
First residue number = 1
Last residue number = 378
Number of atoms found = 3114
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= 1.794125 +/- 35.177581 From: -61.414000 To: 79.688000
= 2.320034 +/- 12.604945 From: -37.537000 To: 40.078000
= 7.053247 +/- 33.005577 From: -42.603000 To: 90.310000
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 2.1541 % Filled.
Pdbmat> 940082 non-zero elements.
Pdbmat> 102392 atom-atom interactions.
Pdbmat> Number per atom= 65.76 +/- 23.95
Maximum number = 125
Minimum number = 9
Pdbmat> Matrix trace = 2.047840E+06
Pdbmat> Larger element = 493.528
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
378 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 = 240111195659789886.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 240111195659789886.atom to be opened.
Openam> file on opening on unit 11:
240111195659789886.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3114 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> 378 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 16
Blocpdb> 13 atoms in block 3
Block first atom: 36
Blocpdb> 22 atoms in block 4
Block first atom: 49
Blocpdb> 18 atoms in block 5
Block first atom: 71
Blocpdb> 16 atoms in block 6
Block first atom: 89
Blocpdb> 14 atoms in block 7
Block first atom: 105
Blocpdb> 17 atoms in block 8
Block first atom: 119
Blocpdb> 17 atoms in block 9
Block first atom: 136
Blocpdb> 17 atoms in block 10
Block first atom: 153
Blocpdb> 15 atoms in block 11
Block first atom: 170
Blocpdb> 16 atoms in block 12
Block first atom: 185
Blocpdb> 12 atoms in block 13
Block first atom: 201
Blocpdb> 14 atoms in block 14
Block first atom: 213
Blocpdb> 22 atoms in block 15
Block first atom: 227
Blocpdb> 25 atoms in block 16
Block first atom: 249
Blocpdb> 19 atoms in block 17
Block first atom: 274
Blocpdb> 16 atoms in block 18
Block first atom: 293
Blocpdb> 16 atoms in block 19
Block first atom: 309
Blocpdb> 19 atoms in block 20
Block first atom: 325
Blocpdb> 18 atoms in block 21
Block first atom: 344
Blocpdb> 20 atoms in block 22
Block first atom: 362
Blocpdb> 18 atoms in block 23
Block first atom: 382
Blocpdb> 18 atoms in block 24
Block first atom: 400
Blocpdb> 17 atoms in block 25
Block first atom: 418
Blocpdb> 19 atoms in block 26
Block first atom: 435
Blocpdb> 10 atoms in block 27
Block first atom: 454
Blocpdb> 20 atoms in block 28
Block first atom: 464
Blocpdb> 15 atoms in block 29
Block first atom: 484
Blocpdb> 20 atoms in block 30
Block first atom: 499
Blocpdb> 12 atoms in block 31
Block first atom: 519
Blocpdb> 15 atoms in block 32
Block first atom: 531
Blocpdb> 20 atoms in block 33
Block first atom: 546
Blocpdb> 17 atoms in block 34
Block first atom: 566
Blocpdb> 18 atoms in block 35
Block first atom: 583
Blocpdb> 17 atoms in block 36
Block first atom: 601
Blocpdb> 12 atoms in block 37
Block first atom: 618
Blocpdb> 13 atoms in block 38
Block first atom: 630
Blocpdb> 13 atoms in block 39
Block first atom: 643
Blocpdb> 14 atoms in block 40
Block first atom: 656
Blocpdb> 17 atoms in block 41
Block first atom: 670
Blocpdb> 19 atoms in block 42
Block first atom: 687
Blocpdb> 14 atoms in block 43
Block first atom: 706
Blocpdb> 14 atoms in block 44
Block first atom: 720
Blocpdb> 18 atoms in block 45
Block first atom: 734
Blocpdb> 19 atoms in block 46
Block first atom: 752
Blocpdb> 18 atoms in block 47
Block first atom: 771
Blocpdb> 20 atoms in block 48
Block first atom: 789
Blocpdb> 20 atoms in block 49
Block first atom: 809
Blocpdb> 18 atoms in block 50
Block first atom: 829
Blocpdb> 17 atoms in block 51
Block first atom: 847
Blocpdb> 18 atoms in block 52
Block first atom: 864
Blocpdb> 19 atoms in block 53
Block first atom: 882
Blocpdb> 18 atoms in block 54
Block first atom: 901
Blocpdb> 18 atoms in block 55
Block first atom: 919
Blocpdb> 14 atoms in block 56
Block first atom: 937
Blocpdb> 21 atoms in block 57
Block first atom: 951
Blocpdb> 15 atoms in block 58
Block first atom: 972
Blocpdb> 15 atoms in block 59
Block first atom: 987
Blocpdb> 14 atoms in block 60
Block first atom: 1002
Blocpdb> 17 atoms in block 61
Block first atom: 1016
Blocpdb> 15 atoms in block 62
Block first atom: 1033
Blocpdb> 15 atoms in block 63
Block first atom: 1048
Blocpdb> 14 atoms in block 64
Block first atom: 1063
Blocpdb> 15 atoms in block 65
Block first atom: 1077
Blocpdb> 16 atoms in block 66
Block first atom: 1092
Blocpdb> 16 atoms in block 67
Block first atom: 1108
Blocpdb> 16 atoms in block 68
Block first atom: 1124
Blocpdb> 18 atoms in block 69
Block first atom: 1140
Blocpdb> 14 atoms in block 70
Block first atom: 1158
Blocpdb> 18 atoms in block 71
Block first atom: 1172
Blocpdb> 18 atoms in block 72
Block first atom: 1190
Blocpdb> 18 atoms in block 73
Block first atom: 1208
Blocpdb> 19 atoms in block 74
Block first atom: 1226
Blocpdb> 16 atoms in block 75
Block first atom: 1245
Blocpdb> 18 atoms in block 76
Block first atom: 1261
Blocpdb> 18 atoms in block 77
Block first atom: 1279
Blocpdb> 21 atoms in block 78
Block first atom: 1297
Blocpdb> 18 atoms in block 79
Block first atom: 1318
Blocpdb> 17 atoms in block 80
Block first atom: 1336
Blocpdb> 21 atoms in block 81
Block first atom: 1353
Blocpdb> 12 atoms in block 82
Block first atom: 1374
Blocpdb> 19 atoms in block 83
Block first atom: 1386
Blocpdb> 25 atoms in block 84
Block first atom: 1405
Blocpdb> 16 atoms in block 85
Block first atom: 1430
Blocpdb> 15 atoms in block 86
Block first atom: 1446
Blocpdb> 21 atoms in block 87
Block first atom: 1461
Blocpdb> 14 atoms in block 88
Block first atom: 1482
Blocpdb> 16 atoms in block 89
Block first atom: 1496
Blocpdb> 17 atoms in block 90
Block first atom: 1512
Blocpdb> 15 atoms in block 91
Block first atom: 1529
Blocpdb> 15 atoms in block 92
Block first atom: 1544
Blocpdb> 16 atoms in block 93
Block first atom: 1559
Blocpdb> 13 atoms in block 94
Block first atom: 1575
Blocpdb> 20 atoms in block 95
Block first atom: 1588
Blocpdb> 15 atoms in block 96
Block first atom: 1608
Blocpdb> 20 atoms in block 97
Block first atom: 1623
Blocpdb> 16 atoms in block 98
Block first atom: 1643
Blocpdb> 17 atoms in block 99
Block first atom: 1659
Blocpdb> 16 atoms in block 100
Block first atom: 1676
Blocpdb> 18 atoms in block 101
Block first atom: 1692
Blocpdb> 11 atoms in block 102
Block first atom: 1710
Blocpdb> 16 atoms in block 103
Block first atom: 1721
Blocpdb> 18 atoms in block 104
Block first atom: 1737
Blocpdb> 12 atoms in block 105
Block first atom: 1755
Blocpdb> 19 atoms in block 106
Block first atom: 1767
Blocpdb> 15 atoms in block 107
Block first atom: 1786
Blocpdb> 15 atoms in block 108
Block first atom: 1801
Blocpdb> 20 atoms in block 109
Block first atom: 1816
Blocpdb> 16 atoms in block 110
Block first atom: 1836
Blocpdb> 17 atoms in block 111
Block first atom: 1852
Blocpdb> 14 atoms in block 112
Block first atom: 1869
Blocpdb> 14 atoms in block 113
Block first atom: 1883
Blocpdb> 16 atoms in block 114
Block first atom: 1897
Blocpdb> 15 atoms in block 115
Block first atom: 1913
Blocpdb> 16 atoms in block 116
Block first atom: 1928
Blocpdb> 17 atoms in block 117
Block first atom: 1944
Blocpdb> 20 atoms in block 118
Block first atom: 1961
Blocpdb> 22 atoms in block 119
Block first atom: 1981
Blocpdb> 16 atoms in block 120
Block first atom: 2003
Blocpdb> 17 atoms in block 121
Block first atom: 2019
Blocpdb> 12 atoms in block 122
Block first atom: 2036
Blocpdb> 19 atoms in block 123
Block first atom: 2048
Blocpdb> 21 atoms in block 124
Block first atom: 2067
Blocpdb> 17 atoms in block 125
Block first atom: 2088
Blocpdb> 15 atoms in block 126
Block first atom: 2105
Blocpdb> 16 atoms in block 127
Block first atom: 2120
Blocpdb> 17 atoms in block 128
Block first atom: 2136
Blocpdb> 14 atoms in block 129
Block first atom: 2153
Blocpdb> 20 atoms in block 130
Block first atom: 2167
Blocpdb> 20 atoms in block 131
Block first atom: 2187
Blocpdb> 18 atoms in block 132
Block first atom: 2207
Blocpdb> 15 atoms in block 133
Block first atom: 2225
Blocpdb> 14 atoms in block 134
Block first atom: 2240
Blocpdb> 19 atoms in block 135
Block first atom: 2254
Blocpdb> 17 atoms in block 136
Block first atom: 2273
Blocpdb> 14 atoms in block 137
Block first atom: 2290
Blocpdb> 17 atoms in block 138
Block first atom: 2304
Blocpdb> 21 atoms in block 139
Block first atom: 2321
Blocpdb> 18 atoms in block 140
Block first atom: 2342
Blocpdb> 18 atoms in block 141
Block first atom: 2360
Blocpdb> 20 atoms in block 142
Block first atom: 2378
Blocpdb> 20 atoms in block 143
Block first atom: 2398
Blocpdb> 12 atoms in block 144
Block first atom: 2418
Blocpdb> 11 atoms in block 145
Block first atom: 2430
Blocpdb> 12 atoms in block 146
Block first atom: 2441
Blocpdb> 15 atoms in block 147
Block first atom: 2453
Blocpdb> 16 atoms in block 148
Block first atom: 2468
Blocpdb> 19 atoms in block 149
Block first atom: 2484
Blocpdb> 15 atoms in block 150
Block first atom: 2503
Blocpdb> 15 atoms in block 151
Block first atom: 2518
Blocpdb> 18 atoms in block 152
Block first atom: 2533
Blocpdb> 17 atoms in block 153
Block first atom: 2551
Blocpdb> 15 atoms in block 154
Block first atom: 2568
Blocpdb> 19 atoms in block 155
Block first atom: 2583
Blocpdb> 16 atoms in block 156
Block first atom: 2602
Blocpdb> 15 atoms in block 157
Block first atom: 2618
Blocpdb> 17 atoms in block 158
Block first atom: 2633
Blocpdb> 17 atoms in block 159
Block first atom: 2650
Blocpdb> 13 atoms in block 160
Block first atom: 2667
Blocpdb> 14 atoms in block 161
Block first atom: 2680
Blocpdb> 17 atoms in block 162
Block first atom: 2694
Blocpdb> 15 atoms in block 163
Block first atom: 2711
Blocpdb> 15 atoms in block 164
Block first atom: 2726
Blocpdb> 14 atoms in block 165
Block first atom: 2741
Blocpdb> 22 atoms in block 166
Block first atom: 2755
Blocpdb> 17 atoms in block 167
Block first atom: 2777
Blocpdb> 17 atoms in block 168
Block first atom: 2794
Blocpdb> 16 atoms in block 169
Block first atom: 2811
Blocpdb> 10 atoms in block 170
Block first atom: 2827
Blocpdb> 22 atoms in block 171
Block first atom: 2837
Blocpdb> 14 atoms in block 172
Block first atom: 2859
Blocpdb> 14 atoms in block 173
Block first atom: 2873
Blocpdb> 14 atoms in block 174
Block first atom: 2887
Blocpdb> 15 atoms in block 175
Block first atom: 2901
Blocpdb> 14 atoms in block 176
Block first atom: 2916
Blocpdb> 13 atoms in block 177
Block first atom: 2930
Blocpdb> 18 atoms in block 178
Block first atom: 2943
Blocpdb> 9 atoms in block 179
Block first atom: 2961
Blocpdb> 11 atoms in block 180
Block first atom: 2970
Blocpdb> 15 atoms in block 181
Block first atom: 2981
Blocpdb> 16 atoms in block 182
Block first atom: 2996
Blocpdb> 14 atoms in block 183
Block first atom: 3012
Blocpdb> 14 atoms in block 184
Block first atom: 3026
Blocpdb> 16 atoms in block 185
Block first atom: 3040
Blocpdb> 12 atoms in block 186
Block first atom: 3056
Blocpdb> 18 atoms in block 187
Block first atom: 3068
Blocpdb> 15 atoms in block 188
Block first atom: 3086
Blocpdb> 14 atoms in block 189
Block first atom: 3100
Blocpdb> 189 blocks.
Blocpdb> At most, 25 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> 940271 matrix lines read.
Prepmat> Matrix order = 9342
Prepmat> Matrix trace = 2047840.0000
Prepmat> Last element read: 9342 9342 12.0985
Prepmat> 17956 lines saved.
Prepmat> 16564 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: 3114
RTB> Total mass = 3114.0000
RTB> Number of atoms found in matrix: 3114
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 193463.3645
RTB> 47241 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 = 1134
Diagstd> Nb of non-zero elements: 47241
Diagstd> Projected matrix trace = 193463.3645
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 193463.3645
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 0.0000773 0.0001701 0.0001973 0.0003771
0.0009135 0.0018672 0.0040222 0.0046704 0.0055105
0.0099838 0.0159166 0.0232881 0.0388905 0.0476129
0.0723879 0.0936767 0.1019632 0.1138487 0.1556575
0.1998522 0.2404157 0.2545992 0.2583968 0.3102795
0.3303653 0.3585943 0.4582115 0.5105984 0.5568032
0.5827399 0.8315604 0.8532086 0.8988794 0.9257091
1.1801958 1.2032113 1.4489110 1.4848203 1.5027968
1.6419431 1.8050831 1.8830222 1.9507653 2.1760887
2.3400891 2.4086491 2.5206274 2.5367919 2.8823471
2.9804515 3.1347898 3.3863115 3.5253123 3.7530444
3.7756765 3.8380200 4.0208815 4.1368803 4.2782481
4.5135867 4.6346171 4.7339039 4.9779402 5.2687973
5.4848426 5.7153312 5.7551338 5.7610926 5.8569126
5.9434582 6.4138553 6.4869763 6.5164890 7.1604694
7.9552175 8.2494085 8.5302590 8.6571329 8.8900026
9.2751972 9.8430011 9.9360694 10.0740905 10.2240274
10.5153738 10.6089338 10.9186620 11.1091471 11.4994760
11.7628326 11.9072535 12.3070927 12.7701262 12.9190626
13.2110887 13.2417352 13.4675122 14.0331684 14.2613837
14.3630661
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034327 0.0034332 0.0034335 0.0034336
0.0034337 0.9544344 1.4162534 1.5254502 2.1087685
3.2821182 4.6923133 6.8869951 7.4211517 8.0610487
10.8503134 13.6999935 16.5715305 21.4149614 23.6950589
29.2165140 33.2361725 34.6750483 36.6403186 42.8430411
48.5455914 53.2447351 54.7928366 55.1999741 60.4883591
62.4155063 65.0274835 73.5069289 77.5952255 81.0300600
82.8958272 99.0243938 100.3050734 102.9546542 104.4798515
117.9702009 119.1149384 130.7122015 132.3220503 133.1206455
139.1471557 145.8961644 149.0126042 151.6693365 160.1893283
166.1160055 168.5318731 172.4049017 172.9568242 184.3607309
187.4719562 192.2646715 199.8291011 203.8891331 210.3716113
211.0049633 212.7398724 217.7488732 220.8674719 224.6095742
230.7045571 233.7772304 236.2680519 242.2814249 249.2591023
254.3181558 259.6067504 260.5091556 260.6439860 262.8025969
264.7371473 275.0140351 276.5772378 277.2056718 290.5802055
306.2818841 311.8937601 317.1585249 319.5084310 323.7771714
330.7172561 340.6897344 342.2966030 344.6658099 347.2212384
352.1337395 353.6968159 358.8227677 361.9392143 368.2428349
372.4356445 374.7150019 380.9544187 388.0546341 390.3109912
394.6976896 395.1552261 398.5097662 406.7926980 410.0871040
411.5464501
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3114
Rtb_to_modes> Number of blocs = 189
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: 9.9857E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9924E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.7251E-05
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.7009E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.9734E-04
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.7711E-04
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.1352E-04
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.8672E-03
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.0222E-03
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.6704E-03
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.5105E-03
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.9838E-03
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.5917E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.3288E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.8891E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.7613E-02
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.2388E-02
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.3677E-02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1020
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1138
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.1557
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.1999
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.2404
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.2546
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.2584
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.3103
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.3304
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.3586
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.4582
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.5106
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.5568
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.5827
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.8316
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.8532
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.8989
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.9257
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.180
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.203
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.449
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.485
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.503
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 1.642
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 1.805
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 1.883
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.951
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 2.176
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 2.340
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 2.409
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 2.521
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 2.537
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 2.882
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.980
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 3.135
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 3.386
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 3.525
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 3.753
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 3.776
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 3.838
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.021
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 4.137
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 4.278
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 4.514
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 4.635
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 4.734
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 4.978
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 5.269
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 5.485
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 5.715
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 5.755
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 5.761
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 5.857
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 5.943
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 6.414
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 6.487
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 6.516
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 7.160
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 7.955
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.249
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.530
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 8.657
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 8.890
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 9.275
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 9.843
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 9.936
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 10.22
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 11.76
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 11.91
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 12.31
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 13.21
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 13.24
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 13.47
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 14.03
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 14.26
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 14.36
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99996 0.99998 1.00000 0.99999 0.99999
0.99998 1.00003 0.99999 0.99998 0.99999
1.00000 0.99998 1.00001 1.00000 1.00002
1.00001 1.00000 1.00001 0.99998 0.99999
0.99998 1.00001 1.00005 0.99998 1.00001
0.99999 1.00001 1.00000 1.00001 1.00002
0.99999 0.99998 0.99999 0.99998 1.00002
1.00000 0.99998 0.99999 1.00001 1.00003
1.00001 1.00002 1.00003 1.00002 0.99998
1.00001 1.00002 1.00002 0.99998 0.99999
1.00000 0.99999 0.99998 0.99998 0.99998
0.99999 1.00004 1.00002 1.00000 1.00001
0.99999 0.99996 0.99998 0.99994 0.99992
0.99997 0.99999 0.99996 1.00002 1.00001
0.99997 1.00001 1.00001 0.99998 1.00001
1.00000 1.00000 1.00001 1.00003 1.00000
0.99999 1.00002 1.00007 1.00002 1.00001
1.00003 0.99999 1.00005 1.00006 0.99997
1.00001 1.00001 1.00000 0.99996 0.99997
1.00003 1.00001 1.00001 0.99998 1.00001
1.00001 1.00001 0.99998 1.00004 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 56052 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99996 0.99998 1.00000 0.99999 0.99999
0.99998 1.00003 0.99999 0.99998 0.99999
1.00000 0.99998 1.00001 1.00000 1.00002
1.00001 1.00000 1.00001 0.99998 0.99999
0.99998 1.00001 1.00005 0.99998 1.00001
0.99999 1.00001 1.00000 1.00001 1.00002
0.99999 0.99998 0.99999 0.99998 1.00002
1.00000 0.99998 0.99999 1.00001 1.00003
1.00001 1.00002 1.00003 1.00002 0.99998
1.00001 1.00002 1.00002 0.99998 0.99999
1.00000 0.99999 0.99998 0.99998 0.99998
0.99999 1.00004 1.00002 1.00000 1.00001
0.99999 0.99996 0.99998 0.99994 0.99992
0.99997 0.99999 0.99996 1.00002 1.00001
0.99997 1.00001 1.00001 0.99998 1.00001
1.00000 1.00000 1.00001 1.00003 1.00000
0.99999 1.00002 1.00007 1.00002 1.00001
1.00003 0.99999 1.00005 1.00006 0.99997
1.00001 1.00001 1.00000 0.99996 0.99997
1.00003 1.00001 1.00001 0.99998 1.00001
1.00001 1.00001 0.99998 1.00004 1.00001
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4:-0.000 0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6: 0.000 0.000 0.000-0.000-0.000
Vector 7: 0.000-0.000-0.000-0.000 0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Vector 9: 0.000-0.000 0.000 0.000-0.000 0.000 0.000 0.000
Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240111195659789886.eigenfacs
Openam> file on opening on unit 10:
240111195659789886.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240111195659789886.atom
Openam> file on opening on unit 11:
240111195659789886.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 = 378
First residue number = 1
Last residue number = 378
Number of atoms found = 3114
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9857E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9924E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7251E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7009E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9734E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7711E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1352E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8672E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0222E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6704E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5105E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9838E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5917E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3288E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8891E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7613E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2388E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.3677E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 4.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 4.278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 5.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 5.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 5.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 5.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 5.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 5.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 5.943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 6.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 6.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 6.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 7.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 7.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 8.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 8.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 13.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 14.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Bfactors> 106 vectors, 9342 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 : 0.000077
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= -0.493 for 378 C-alpha atoms.
Bfactors> = 154.233 +/- 512.49
Bfactors> = 80.495 +/- 17.46
Bfactors> Shiftng-fct= -73.739
Bfactors> Scaling-fct= 0.034
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240111195659789886 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=0
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=100
240111195659789886.eigenfacs
240111195659789886.atom
making animated gifs
11 models are in 240111195659789886.7.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 240111195659789886.7.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 240111195659789886.7.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 240111195659789886 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=0
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=100
240111195659789886.eigenfacs
240111195659789886.atom
making animated gifs
11 models are in 240111195659789886.8.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 240111195659789886.8.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 240111195659789886.8.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 240111195659789886 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=0
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=100
240111195659789886.eigenfacs
240111195659789886.atom
making animated gifs
11 models are in 240111195659789886.9.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 240111195659789886.9.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 240111195659789886.9.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 240111195659789886 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=0
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=100
240111195659789886.eigenfacs
240111195659789886.atom
making animated gifs
11 models are in 240111195659789886.10.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 240111195659789886.10.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 240111195659789886.10.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 240111195659789886 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=-20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=0
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=20
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=40
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=60
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=80
240111195659789886.eigenfacs
240111195659789886.atom
calculating perturbed structure for DQ=100
240111195659789886.eigenfacs
240111195659789886.atom
making animated gifs
11 models are in 240111195659789886.11.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 240111195659789886.11.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 240111195659789886.11.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
240111195659789886.10.pdb
240111195659789886.11.pdb
240111195659789886.7.pdb
240111195659789886.8.pdb
240111195659789886.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.489s
user 0m22.445s
sys 0m0.044s
../../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: 240111195659789886.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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