*** 6zmr_fo ***
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 = 240323232216336432.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 240323232216336432.atom to be opened.
Openam> File opened: 240323232216336432.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 = 1271
First residue number = 1
Last residue number = 47
Number of atoms found = 19674
Mean number per residue = 15.5
Pdbmat> Coordinate statistics:
= 185.156987 +/- 24.215246 From: 121.592000 To: 234.611000
= 113.144130 +/- 18.955593 From: 66.669000 To: 162.582000
= 203.942106 +/- 18.844659 From: 156.011000 To: 246.315000
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 -3.3932 % Filled.
Pdbmat> 13764814 non-zero elements.
Pdbmat> 1516585 atom-atom interactions.
Pdbmat> Number per atom= 154.17 +/- 41.52
Maximum number = 243
Minimum number = 22
Pdbmat> Matrix trace = 3.033170E+07
Pdbmat> Larger element = 884.038
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1271 non-zero elements, NRBL set to 7
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 = 240323232216336432.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 240323232216336432.atom to be opened.
Openam> file on opening on unit 11:
240323232216336432.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 19674 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1271 residues.
Blocpdb> 106 atoms in block 1
Block first atom: 1
Blocpdb> 124 atoms in block 2
Block first atom: 107
Blocpdb> 117 atoms in block 3
Block first atom: 231
Blocpdb> 135 atoms in block 4
Block first atom: 348
Blocpdb> 92 atoms in block 5
Block first atom: 483
Blocpdb> 101 atoms in block 6
Block first atom: 575
Blocpdb> 83 atoms in block 7
Block first atom: 676
Blocpdb> 81 atoms in block 8
Block first atom: 759
Blocpdb> 80 atoms in block 9
Block first atom: 840
Blocpdb> 102 atoms in block 10
Block first atom: 920
Blocpdb> 113 atoms in block 11
Block first atom: 1022
Blocpdb> 115 atoms in block 12
Block first atom: 1135
Blocpdb> 105 atoms in block 13
Block first atom: 1250
Blocpdb> 99 atoms in block 14
Block first atom: 1355
Blocpdb> 120 atoms in block 15
Block first atom: 1454
Blocpdb> 49 atoms in block 16
Block first atom: 1574
Blocpdb> 101 atoms in block 17
Block first atom: 1623
Blocpdb> 83 atoms in block 18
Block first atom: 1724
Blocpdb> 81 atoms in block 19
Block first atom: 1807
Blocpdb> 80 atoms in block 20
Block first atom: 1888
Blocpdb> 102 atoms in block 21
Block first atom: 1968
Blocpdb> 113 atoms in block 22
Block first atom: 2070
Blocpdb> 115 atoms in block 23
Block first atom: 2183
Blocpdb> 105 atoms in block 24
Block first atom: 2298
Blocpdb> 99 atoms in block 25
Block first atom: 2403
Blocpdb> 120 atoms in block 26
Block first atom: 2502
Blocpdb> 49 atoms in block 27
Block first atom: 2622
Blocpdb> 101 atoms in block 28
Block first atom: 2671
Blocpdb> 83 atoms in block 29
Block first atom: 2772
Blocpdb> 81 atoms in block 30
Block first atom: 2855
Blocpdb> 80 atoms in block 31
Block first atom: 2936
Blocpdb> 102 atoms in block 32
Block first atom: 3016
Blocpdb> 113 atoms in block 33
Block first atom: 3118
Blocpdb> 115 atoms in block 34
Block first atom: 3231
Blocpdb> 105 atoms in block 35
Block first atom: 3346
Blocpdb> 99 atoms in block 36
Block first atom: 3451
Blocpdb> 120 atoms in block 37
Block first atom: 3550
Blocpdb> 66 atoms in block 38
Block first atom: 3670
Blocpdb> 101 atoms in block 39
Block first atom: 3736
Blocpdb> 83 atoms in block 40
Block first atom: 3837
Blocpdb> 81 atoms in block 41
Block first atom: 3920
Blocpdb> 80 atoms in block 42
Block first atom: 4001
Blocpdb> 102 atoms in block 43
Block first atom: 4081
Blocpdb> 113 atoms in block 44
Block first atom: 4183
Blocpdb> 115 atoms in block 45
Block first atom: 4296
Blocpdb> 105 atoms in block 46
Block first atom: 4411
Blocpdb> 99 atoms in block 47
Block first atom: 4516
Blocpdb> 120 atoms in block 48
Block first atom: 4615
Blocpdb> 66 atoms in block 49
Block first atom: 4735
Blocpdb> 101 atoms in block 50
Block first atom: 4801
Blocpdb> 83 atoms in block 51
Block first atom: 4902
Blocpdb> 81 atoms in block 52
Block first atom: 4985
Blocpdb> 80 atoms in block 53
Block first atom: 5066
Blocpdb> 102 atoms in block 54
Block first atom: 5146
Blocpdb> 113 atoms in block 55
Block first atom: 5248
Blocpdb> 115 atoms in block 56
Block first atom: 5361
Blocpdb> 105 atoms in block 57
Block first atom: 5476
Blocpdb> 99 atoms in block 58
Block first atom: 5581
Blocpdb> 120 atoms in block 59
Block first atom: 5680
Blocpdb> 66 atoms in block 60
Block first atom: 5800
Blocpdb> 101 atoms in block 61
Block first atom: 5866
Blocpdb> 83 atoms in block 62
Block first atom: 5967
Blocpdb> 81 atoms in block 63
Block first atom: 6050
Blocpdb> 80 atoms in block 64
Block first atom: 6131
Blocpdb> 102 atoms in block 65
Block first atom: 6211
Blocpdb> 113 atoms in block 66
Block first atom: 6313
Blocpdb> 115 atoms in block 67
Block first atom: 6426
Blocpdb> 105 atoms in block 68
Block first atom: 6541
Blocpdb> 99 atoms in block 69
Block first atom: 6646
Blocpdb> 120 atoms in block 70
Block first atom: 6745
Blocpdb> 49 atoms in block 71
Block first atom: 6865
Blocpdb> 101 atoms in block 72
Block first atom: 6914
Blocpdb> 83 atoms in block 73
Block first atom: 7015
Blocpdb> 81 atoms in block 74
Block first atom: 7098
Blocpdb> 80 atoms in block 75
Block first atom: 7179
Blocpdb> 102 atoms in block 76
Block first atom: 7259
Blocpdb> 113 atoms in block 77
Block first atom: 7361
Blocpdb> 115 atoms in block 78
Block first atom: 7474
Blocpdb> 105 atoms in block 79
Block first atom: 7589
Blocpdb> 99 atoms in block 80
Block first atom: 7694
Blocpdb> 120 atoms in block 81
Block first atom: 7793
Blocpdb> 66 atoms in block 82
Block first atom: 7913
Blocpdb> 101 atoms in block 83
Block first atom: 7979
Blocpdb> 83 atoms in block 84
Block first atom: 8080
Blocpdb> 81 atoms in block 85
Block first atom: 8163
Blocpdb> 80 atoms in block 86
Block first atom: 8244
Blocpdb> 102 atoms in block 87
Block first atom: 8324
Blocpdb> 113 atoms in block 88
Block first atom: 8426
Blocpdb> 115 atoms in block 89
Block first atom: 8539
Blocpdb> 105 atoms in block 90
Block first atom: 8654
Blocpdb> 99 atoms in block 91
Block first atom: 8759
Blocpdb> 120 atoms in block 92
Block first atom: 8858
Blocpdb> 66 atoms in block 93
Block first atom: 8978
Blocpdb> 112 atoms in block 94
Block first atom: 9044
Blocpdb> 98 atoms in block 95
Block first atom: 9156
Blocpdb> 120 atoms in block 96
Block first atom: 9254
Blocpdb> 120 atoms in block 97
Block first atom: 9374
Blocpdb> 126 atoms in block 98
Block first atom: 9494
Blocpdb> 115 atoms in block 99
Block first atom: 9620
Blocpdb> 132 atoms in block 100
Block first atom: 9735
Blocpdb> 108 atoms in block 101
Block first atom: 9867
Blocpdb> 113 atoms in block 102
Block first atom: 9975
Blocpdb> 121 atoms in block 103
Block first atom: 10088
Blocpdb> 112 atoms in block 104
Block first atom: 10209
Blocpdb> 103 atoms in block 105
Block first atom: 10321
Blocpdb> 109 atoms in block 106
Block first atom: 10424
Blocpdb> 106 atoms in block 107
Block first atom: 10533
Blocpdb> 105 atoms in block 108
Block first atom: 10639
Blocpdb> 109 atoms in block 109
Block first atom: 10744
Blocpdb> 130 atoms in block 110
Block first atom: 10853
Blocpdb> 110 atoms in block 111
Block first atom: 10983
Blocpdb> 95 atoms in block 112
Block first atom: 11093
Blocpdb> 123 atoms in block 113
Block first atom: 11188
Blocpdb> 117 atoms in block 114
Block first atom: 11311
Blocpdb> 105 atoms in block 115
Block first atom: 11428
Blocpdb> 116 atoms in block 116
Block first atom: 11533
Blocpdb> 105 atoms in block 117
Block first atom: 11649
Blocpdb> 93 atoms in block 118
Block first atom: 11754
Blocpdb> 114 atoms in block 119
Block first atom: 11847
Blocpdb> 108 atoms in block 120
Block first atom: 11961
Blocpdb> 129 atoms in block 121
Block first atom: 12069
Blocpdb> 113 atoms in block 122
Block first atom: 12198
Blocpdb> 112 atoms in block 123
Block first atom: 12311
Blocpdb> 118 atoms in block 124
Block first atom: 12423
Blocpdb> 97 atoms in block 125
Block first atom: 12541
Blocpdb> 108 atoms in block 126
Block first atom: 12638
Blocpdb> 112 atoms in block 127
Block first atom: 12746
Blocpdb> 109 atoms in block 128
Block first atom: 12858
Blocpdb> 133 atoms in block 129
Block first atom: 12967
Blocpdb> 93 atoms in block 130
Block first atom: 13100
Blocpdb> 101 atoms in block 131
Block first atom: 13193
Blocpdb> 126 atoms in block 132
Block first atom: 13294
Blocpdb> 114 atoms in block 133
Block first atom: 13420
Blocpdb> 99 atoms in block 134
Block first atom: 13534
Blocpdb> 117 atoms in block 135
Block first atom: 13633
Blocpdb> 109 atoms in block 136
Block first atom: 13750
Blocpdb> 100 atoms in block 137
Block first atom: 13859
Blocpdb> 116 atoms in block 138
Block first atom: 13959
Blocpdb> 51 atoms in block 139
Block first atom: 14075
Blocpdb> 112 atoms in block 140
Block first atom: 14126
Blocpdb> 110 atoms in block 141
Block first atom: 14238
Blocpdb> 116 atoms in block 142
Block first atom: 14348
Blocpdb> 146 atoms in block 143
Block first atom: 14464
Blocpdb> 103 atoms in block 144
Block first atom: 14610
Blocpdb> 102 atoms in block 145
Block first atom: 14713
Blocpdb> 131 atoms in block 146
Block first atom: 14815
Blocpdb> 102 atoms in block 147
Block first atom: 14946
Blocpdb> 115 atoms in block 148
Block first atom: 15048
Blocpdb> 124 atoms in block 149
Block first atom: 15163
Blocpdb> 122 atoms in block 150
Block first atom: 15287
Blocpdb> 123 atoms in block 151
Block first atom: 15409
Blocpdb> 126 atoms in block 152
Block first atom: 15532
Blocpdb> 24 atoms in block 153
Block first atom: 15658
Blocpdb> 134 atoms in block 154
Block first atom: 15682
Blocpdb> 113 atoms in block 155
Block first atom: 15816
Blocpdb> 123 atoms in block 156
Block first atom: 15929
Blocpdb> 102 atoms in block 157
Block first atom: 16052
Blocpdb> 107 atoms in block 158
Block first atom: 16154
Blocpdb> 129 atoms in block 159
Block first atom: 16261
Blocpdb> 133 atoms in block 160
Block first atom: 16390
Blocpdb> 81 atoms in block 161
Block first atom: 16523
Blocpdb> 109 atoms in block 162
Block first atom: 16604
Blocpdb> 117 atoms in block 163
Block first atom: 16713
Blocpdb> 131 atoms in block 164
Block first atom: 16830
Blocpdb> 127 atoms in block 165
Block first atom: 16961
Blocpdb> 124 atoms in block 166
Block first atom: 17088
Blocpdb> 116 atoms in block 167
Block first atom: 17212
Blocpdb> 116 atoms in block 168
Block first atom: 17328
Blocpdb> 100 atoms in block 169
Block first atom: 17444
Blocpdb> 120 atoms in block 170
Block first atom: 17544
Blocpdb> 101 atoms in block 171
Block first atom: 17664
Blocpdb> 110 atoms in block 172
Block first atom: 17765
Blocpdb> 115 atoms in block 173
Block first atom: 17875
Blocpdb> 97 atoms in block 174
Block first atom: 17990
Blocpdb> 124 atoms in block 175
Block first atom: 18087
Blocpdb> 59 atoms in block 176
Block first atom: 18211
Blocpdb> 120 atoms in block 177
Block first atom: 18270
Blocpdb> 128 atoms in block 178
Block first atom: 18390
Blocpdb> 127 atoms in block 179
Block first atom: 18518
Blocpdb> 105 atoms in block 180
Block first atom: 18645
Blocpdb> 119 atoms in block 181
Block first atom: 18750
Blocpdb> 120 atoms in block 182
Block first atom: 18869
Blocpdb> 108 atoms in block 183
Block first atom: 18989
Blocpdb> 124 atoms in block 184
Block first atom: 19097
Blocpdb> 110 atoms in block 185
Block first atom: 19221
Blocpdb> 101 atoms in block 186
Block first atom: 19331
Blocpdb> 102 atoms in block 187
Block first atom: 19432
Blocpdb> 141 atoms in block 188
Block first atom: 19533
Blocpdb> 188 blocks.
Blocpdb> At most, 146 atoms in each of them.
Blocpdb> At least, 24 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> 13765002 matrix lines read.
Prepmat> Matrix order = 59022
Prepmat> Matrix trace = 30331700.0001
Prepmat> Last element read: 59022 59022 187.2307
Prepmat> 17767 lines saved.
Prepmat> 16272 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: 19674
RTB> Total mass = 19674.0000
RTB> Number of atoms found in matrix: 19674
RTB> Number of blocks = 188
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 352912.9470
RTB> 50964 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 = 1128
Diagstd> Nb of non-zero elements: 50964
Diagstd> Projected matrix trace = 352912.9470
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1128 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 352912.9470
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 0.1982983 0.3443870 0.4742278 0.5758831
0.9202388 1.1673306 1.2775861 1.5071031 1.6226404
1.8368150 2.5125057 2.7263149 3.4308659 3.7611988
3.8393682 4.1959405 5.0261004 5.3163432 5.6565081
6.0812580 6.2279093 6.3640425 6.7469624 7.3028402
7.4073168 7.7740659 8.6347821 9.1332682 9.3219768
10.1679257 10.7553797 11.4928734 11.8321322 12.2499530
13.0622421 13.6487724 13.9149257 14.6341314 15.1687566
15.9493598 16.9200134 17.3486894 17.5802949 17.9381528
18.7656511 18.9370032 19.3802192 19.8537496 20.3111653
20.4535999 20.8151538 21.3266394 22.9999790 23.4109802
23.6255602 23.9170626 24.5786977 25.1292360 25.4280696
25.6722597 26.0567324 26.5712942 27.2017405 28.1920034
28.2776891 28.5052377 28.8157297 29.3544905 29.7077910
30.6085490 30.9566357 31.3110534 32.3071947 32.8742223
33.8204058 34.1146017 34.2996909 34.9737902 35.4516216
36.4615482 36.8635662 37.5553607 38.3625645 38.7628933
39.6182489 39.8215335 40.5959946 41.1885820 42.3748742
43.1350260 43.5526548 44.8958760 45.8832225 46.1851077
47.0398086 47.6808483 47.8497840 48.9952729 49.4229040
50.1377474
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034328 0.0034340 0.0034343 0.0034356
0.0034373 48.3564918 63.7262966 74.7805748 82.4066873
104.1706922 117.3254489 122.7411999 133.3112398 138.3268313
147.1729475 172.1269243 179.3012375 201.1394013 210.6000278
212.7772365 222.4384901 243.4506065 250.3812387 258.2673376
267.7885447 270.9982081 273.9440151 282.0651460 293.4547739
295.5464456 302.7745645 319.0957147 328.1771860 331.5501964
346.2672855 356.1296678 368.1371037 373.5311178 380.0690374
392.4679027 401.1825880 405.0752667 415.4117292 422.9317332
433.6775173 446.6790994 452.3021120 455.3112261 459.9219536
470.4105995 472.5534157 478.0514313 483.8564673 489.3985748
491.1115620 495.4331843 501.4833209 520.7856392 525.4181598
527.8206022 531.0668586 538.3623922 544.3583927 547.5855456
550.2085421 554.3132463 559.7597083 566.3613739 576.5782418
577.4537922 579.7725025 582.9215234 588.3456592 591.8756322
600.7816395 604.1880876 607.6368719 617.2269850 622.6199381
631.5164784 634.2572390 635.9754971 642.1945724 646.5666994
655.7115494 659.3165136 665.4742405 672.5879710 676.0882266
683.5069241 685.2582463 691.8897124 696.9212397 706.8861803
713.1983211 716.6425604 727.6097417 735.5669985 737.9828348
744.7800811 749.8376917 751.1648741 760.1028671 763.4127523
768.9138602
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 19674
Rtb_to_modes> Number of blocs = 188
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: 9.9887E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0019E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1983
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3444
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4742
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5759
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.9202
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.167
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.278
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.507
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.623
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.837
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.513
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.726
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.431
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.761
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.839
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.196
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.026
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.316
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.657
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.081
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 6.228
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.364
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.747
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.303
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.407
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.774
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.635
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 9.133
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.322
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.17
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 10.76
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.49
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 11.83
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 12.25
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 13.06
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 13.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 13.91
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 14.63
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 15.17
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.95
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 16.92
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 17.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 17.94
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 19.38
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 19.85
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 20.31
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 20.45
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 21.33
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 23.41
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 23.63
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 23.92
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 24.58
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 25.13
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 25.43
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 25.67
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 26.06
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 27.20
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 28.19
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 28.28
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 28.51
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 28.82
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 29.35
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 29.71
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 30.61
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 30.96
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 32.31
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 32.87
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 33.82
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 34.11
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 34.30
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 34.97
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 35.45
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 36.86
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 37.56
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 38.36
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 38.76
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 39.62
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 39.82
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 40.60
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 41.19
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 42.37
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 43.14
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 43.55
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 44.90
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 45.88
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 46.19
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 47.04
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 47.68
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 47.85
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 49.00
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 49.42
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 50.14
Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 0.99999
0.99999 0.99996 0.99997 1.00004 1.00001
1.00000 0.99998 0.99998 1.00002 0.99999
1.00000 1.00001 1.00000 1.00002 1.00001
1.00004 1.00000 1.00001 1.00001 1.00001
0.99994 1.00002 0.99999 0.99996 0.99996
1.00001 1.00001 1.00002 1.00000 1.00000
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 0.99996 0.99996 0.99997 1.00003
1.00000 1.00000 1.00001 0.99999 0.99999
0.99998 0.99999 1.00003 1.00001 0.99998
0.99997 1.00001 0.99998 0.99998 1.00003
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 0.99998 1.00001 0.99999 0.99998
1.00001 0.99999 0.99999 1.00000 1.00000
0.99997 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 0.99999 1.00001 0.99996
1.00003 0.99999 1.00002 1.00000 0.99998
0.99999 1.00001 0.99999 0.99997 1.00000
1.00000 1.00000 1.00004 1.00002 1.00000
0.99998 1.00000 0.99996 1.00000 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 354132 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 0.99999
0.99999 0.99996 0.99997 1.00004 1.00001
1.00000 0.99998 0.99998 1.00002 0.99999
1.00000 1.00001 1.00000 1.00002 1.00001
1.00004 1.00000 1.00001 1.00001 1.00001
0.99994 1.00002 0.99999 0.99996 0.99996
1.00001 1.00001 1.00002 1.00000 1.00000
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 0.99996 0.99996 0.99997 1.00003
1.00000 1.00000 1.00001 0.99999 0.99999
0.99998 0.99999 1.00003 1.00001 0.99998
0.99997 1.00001 0.99998 0.99998 1.00003
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 0.99998 1.00001 0.99999 0.99998
1.00001 0.99999 0.99999 1.00000 1.00000
0.99997 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 0.99999 1.00001 0.99996
1.00003 0.99999 1.00002 1.00000 0.99998
0.99999 1.00001 0.99999 0.99997 1.00000
1.00000 1.00000 1.00004 1.00002 1.00000
0.99998 1.00000 0.99996 1.00000 1.00001
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> 240323232216336432.eigenfacs
Openam> file on opening on unit 10:
240323232216336432.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240323232216336432.atom
Openam> file on opening on unit 11:
240323232216336432.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 = 1271
First residue number = 1
Last residue number = 47
Number of atoms found = 19674
Mean number per residue = 15.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9887E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 6.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 13.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 13.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 13.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 14.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 16.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 17.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 17.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 20.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 21.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 23.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 23.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 23.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 24.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 25.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 25.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 25.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 26.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 27.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 28.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 28.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 28.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 28.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 29.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 29.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 30.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 30.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 32.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 32.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 33.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 34.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 34.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 34.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 35.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 36.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 37.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 38.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 38.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 39.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 39.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 40.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 41.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 42.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 43.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 43.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 44.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 45.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 46.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 47.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 47.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 47.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 49.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 49.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 50.14
Bfactors> 106 vectors, 59022 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 : 0.198300
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= 0.593 for 1271 C-alpha atoms.
Bfactors> = 0.015 +/- 0.05
Bfactors> = 62.801 +/- 29.46
Bfactors> Shiftng-fct= 62.785
Bfactors> Scaling-fct= 643.282
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240323232216336432 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=0
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=100
240323232216336432.eigenfacs
240323232216336432.atom
making animated gifs
11 models are in 240323232216336432.7.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 240323232216336432.7.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 240323232216336432.7.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 240323232216336432 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=0
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=100
240323232216336432.eigenfacs
240323232216336432.atom
making animated gifs
11 models are in 240323232216336432.8.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 240323232216336432.8.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 240323232216336432.8.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 240323232216336432 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=0
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=100
240323232216336432.eigenfacs
240323232216336432.atom
making animated gifs
11 models are in 240323232216336432.9.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 240323232216336432.9.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 240323232216336432.9.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 240323232216336432 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=0
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=100
240323232216336432.eigenfacs
240323232216336432.atom
making animated gifs
11 models are in 240323232216336432.10.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 240323232216336432.10.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 240323232216336432.10.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 240323232216336432 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=-20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=0
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=20
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=40
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=60
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=80
240323232216336432.eigenfacs
240323232216336432.atom
calculating perturbed structure for DQ=100
240323232216336432.eigenfacs
240323232216336432.atom
making animated gifs
11 models are in 240323232216336432.11.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 240323232216336432.11.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 240323232216336432.11.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
240323232216336432.10.pdb
240323232216336432.11.pdb
240323232216336432.7.pdb
240323232216336432.8.pdb
240323232216336432.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 2m31.354s
user 2m30.760s
sys 0m0.520s
../../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: 240323232216336432.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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