*** Angio ***
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 = 2404051739442459575.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 2404051739442459575.atom to be opened.
Openam> File opened: 2404051739442459575.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 = 375
First residue number = 35
Last residue number = 320
Number of atoms found = 6055
Mean number per residue = 16.1
Pdbmat> Coordinate statistics:
= 46.826986 +/- 25.759336 From: -10.590000 To: 96.070000
= 18.935032 +/- 9.109318 From: -4.150000 To: 45.110000
= 24.688008 +/- 10.382464 From: -1.830000 To: 51.620000
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 2.4956 % Filled.
Pdbmat> 4117481 non-zero elements.
Pdbmat> 454211 atom-atom interactions.
Pdbmat> Number per atom= 150.03 +/- 44.82
Maximum number = 241
Minimum number = 24
Pdbmat> Matrix trace = 9.084220E+06
Pdbmat> Larger element = 867.370
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
375 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 = 2404051739442459575.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 2404051739442459575.atom to be opened.
Openam> file on opening on unit 11:
2404051739442459575.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6055 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> 375 residues.
Blocpdb> 24 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 25
Blocpdb> 25 atoms in block 3
Block first atom: 64
Blocpdb> 34 atoms in block 4
Block first atom: 89
Blocpdb> 36 atoms in block 5
Block first atom: 123
Blocpdb> 22 atoms in block 6
Block first atom: 159
Blocpdb> 33 atoms in block 7
Block first atom: 181
Blocpdb> 38 atoms in block 8
Block first atom: 214
Blocpdb> 42 atoms in block 9
Block first atom: 252
Blocpdb> 38 atoms in block 10
Block first atom: 294
Blocpdb> 36 atoms in block 11
Block first atom: 332
Blocpdb> 26 atoms in block 12
Block first atom: 368
Blocpdb> 39 atoms in block 13
Block first atom: 394
Blocpdb> 30 atoms in block 14
Block first atom: 433
Blocpdb> 35 atoms in block 15
Block first atom: 463
Blocpdb> 32 atoms in block 16
Block first atom: 498
Blocpdb> 33 atoms in block 17
Block first atom: 530
Blocpdb> 31 atoms in block 18
Block first atom: 563
Blocpdb> 28 atoms in block 19
Block first atom: 594
Blocpdb> 29 atoms in block 20
Block first atom: 622
Blocpdb> 36 atoms in block 21
Block first atom: 651
Blocpdb> 38 atoms in block 22
Block first atom: 687
Blocpdb> 22 atoms in block 23
Block first atom: 725
Blocpdb> 40 atoms in block 24
Block first atom: 747
Blocpdb> 39 atoms in block 25
Block first atom: 787
Blocpdb> 33 atoms in block 26
Block first atom: 826
Blocpdb> 26 atoms in block 27
Block first atom: 859
Blocpdb> 22 atoms in block 28
Block first atom: 885
Blocpdb> 38 atoms in block 29
Block first atom: 907
Blocpdb> 38 atoms in block 30
Block first atom: 945
Blocpdb> 24 atoms in block 31
Block first atom: 983
Blocpdb> 33 atoms in block 32
Block first atom: 1007
Blocpdb> 43 atoms in block 33
Block first atom: 1040
Blocpdb> 24 atoms in block 34
Block first atom: 1083
Blocpdb> 42 atoms in block 35
Block first atom: 1107
Blocpdb> 32 atoms in block 36
Block first atom: 1149
Blocpdb> 45 atoms in block 37
Block first atom: 1181
Blocpdb> 36 atoms in block 38
Block first atom: 1226
Blocpdb> 39 atoms in block 39
Block first atom: 1262
Blocpdb> 21 atoms in block 40
Block first atom: 1301
Blocpdb> 33 atoms in block 41
Block first atom: 1322
Blocpdb> 32 atoms in block 42
Block first atom: 1355
Blocpdb> 36 atoms in block 43
Block first atom: 1387
Blocpdb> 18 atoms in block 44
Block first atom: 1423
Blocpdb> 39 atoms in block 45
Block first atom: 1441
Blocpdb> 33 atoms in block 46
Block first atom: 1480
Blocpdb> 31 atoms in block 47
Block first atom: 1513
Blocpdb> 30 atoms in block 48
Block first atom: 1544
Blocpdb> 30 atoms in block 49
Block first atom: 1574
Blocpdb> 40 atoms in block 50
Block first atom: 1604
Blocpdb> 33 atoms in block 51
Block first atom: 1644
Blocpdb> 28 atoms in block 52
Block first atom: 1677
Blocpdb> 27 atoms in block 53
Block first atom: 1705
Blocpdb> 36 atoms in block 54
Block first atom: 1732
Blocpdb> 38 atoms in block 55
Block first atom: 1768
Blocpdb> 27 atoms in block 56
Block first atom: 1806
Blocpdb> 40 atoms in block 57
Block first atom: 1833
Blocpdb> 34 atoms in block 58
Block first atom: 1873
Blocpdb> 30 atoms in block 59
Block first atom: 1907
Blocpdb> 41 atoms in block 60
Block first atom: 1937
Blocpdb> 38 atoms in block 61
Block first atom: 1978
Blocpdb> 38 atoms in block 62
Block first atom: 2016
Blocpdb> 27 atoms in block 63
Block first atom: 2054
Blocpdb> 32 atoms in block 64
Block first atom: 2081
Blocpdb> 35 atoms in block 65
Block first atom: 2113
Blocpdb> 33 atoms in block 66
Block first atom: 2148
Blocpdb> 40 atoms in block 67
Block first atom: 2181
Blocpdb> 28 atoms in block 68
Block first atom: 2221
Blocpdb> 21 atoms in block 69
Block first atom: 2249
Blocpdb> 30 atoms in block 70
Block first atom: 2270
Blocpdb> 30 atoms in block 71
Block first atom: 2300
Blocpdb> 28 atoms in block 72
Block first atom: 2330
Blocpdb> 41 atoms in block 73
Block first atom: 2358
Blocpdb> 44 atoms in block 74
Block first atom: 2399
Blocpdb> 28 atoms in block 75
Block first atom: 2443
Blocpdb> 38 atoms in block 76
Block first atom: 2471
Blocpdb> 34 atoms in block 77
Block first atom: 2509
Blocpdb> 40 atoms in block 78
Block first atom: 2543
Blocpdb> 23 atoms in block 79
Block first atom: 2583
Blocpdb> 24 atoms in block 80
Block first atom: 2606
Blocpdb> 29 atoms in block 81
Block first atom: 2630
Blocpdb> 27 atoms in block 82
Block first atom: 2659
Blocpdb> 34 atoms in block 83
Block first atom: 2686
Blocpdb> 29 atoms in block 84
Block first atom: 2720
Blocpdb> 43 atoms in block 85
Block first atom: 2749
Blocpdb> 27 atoms in block 86
Block first atom: 2792
Blocpdb> 35 atoms in block 87
Block first atom: 2819
Blocpdb> 17 atoms in block 88
Block first atom: 2854
Blocpdb> 29 atoms in block 89
Block first atom: 2871
Blocpdb> 36 atoms in block 90
Block first atom: 2900
Blocpdb> 36 atoms in block 91
Block first atom: 2936
Blocpdb> 38 atoms in block 92
Block first atom: 2972
Blocpdb> 27 atoms in block 93
Block first atom: 3010
Blocpdb> 38 atoms in block 94
Block first atom: 3037
Blocpdb> 33 atoms in block 95
Block first atom: 3075
Blocpdb> 39 atoms in block 96
Block first atom: 3108
Blocpdb> 29 atoms in block 97
Block first atom: 3147
Blocpdb> 25 atoms in block 98
Block first atom: 3176
Blocpdb> 41 atoms in block 99
Block first atom: 3201
Blocpdb> 26 atoms in block 100
Block first atom: 3242
Blocpdb> 46 atoms in block 101
Block first atom: 3268
Blocpdb> 36 atoms in block 102
Block first atom: 3314
Blocpdb> 41 atoms in block 103
Block first atom: 3350
Blocpdb> 28 atoms in block 104
Block first atom: 3391
Blocpdb> 22 atoms in block 105
Block first atom: 3419
Blocpdb> 34 atoms in block 106
Block first atom: 3441
Blocpdb> 26 atoms in block 107
Block first atom: 3475
Blocpdb> 39 atoms in block 108
Block first atom: 3501
Blocpdb> 33 atoms in block 109
Block first atom: 3540
Blocpdb> 26 atoms in block 110
Block first atom: 3573
Blocpdb> 33 atoms in block 111
Block first atom: 3599
Blocpdb> 38 atoms in block 112
Block first atom: 3632
Blocpdb> 34 atoms in block 113
Block first atom: 3670
Blocpdb> 32 atoms in block 114
Block first atom: 3704
Blocpdb> 26 atoms in block 115
Block first atom: 3736
Blocpdb> 20 atoms in block 116
Block first atom: 3762
Blocpdb> 33 atoms in block 117
Block first atom: 3782
Blocpdb> 34 atoms in block 118
Block first atom: 3815
Blocpdb> 29 atoms in block 119
Block first atom: 3849
Blocpdb> 36 atoms in block 120
Block first atom: 3878
Blocpdb> 41 atoms in block 121
Block first atom: 3914
Blocpdb> 20 atoms in block 122
Block first atom: 3955
Blocpdb> 29 atoms in block 123
Block first atom: 3975
Blocpdb> 22 atoms in block 124
Block first atom: 4004
Blocpdb> 39 atoms in block 125
Block first atom: 4026
Blocpdb> 24 atoms in block 126
Block first atom: 4065
Blocpdb> 15 atoms in block 127
Block first atom: 4089
Blocpdb> 34 atoms in block 128
Block first atom: 4104
Blocpdb> 41 atoms in block 129
Block first atom: 4138
Blocpdb> 27 atoms in block 130
Block first atom: 4179
Blocpdb> 31 atoms in block 131
Block first atom: 4206
Blocpdb> 35 atoms in block 132
Block first atom: 4237
Blocpdb> 24 atoms in block 133
Block first atom: 4272
Blocpdb> 31 atoms in block 134
Block first atom: 4296
Blocpdb> 22 atoms in block 135
Block first atom: 4327
Blocpdb> 41 atoms in block 136
Block first atom: 4349
Blocpdb> 29 atoms in block 137
Block first atom: 4390
Blocpdb> 29 atoms in block 138
Block first atom: 4419
Blocpdb> 29 atoms in block 139
Block first atom: 4448
Blocpdb> 38 atoms in block 140
Block first atom: 4477
Blocpdb> 25 atoms in block 141
Block first atom: 4515
Blocpdb> 27 atoms in block 142
Block first atom: 4540
Blocpdb> 20 atoms in block 143
Block first atom: 4567
Blocpdb> 32 atoms in block 144
Block first atom: 4587
Blocpdb> 41 atoms in block 145
Block first atom: 4619
Blocpdb> 28 atoms in block 146
Block first atom: 4660
Blocpdb> 38 atoms in block 147
Block first atom: 4688
Blocpdb> 31 atoms in block 148
Block first atom: 4726
Blocpdb> 36 atoms in block 149
Block first atom: 4757
Blocpdb> 43 atoms in block 150
Block first atom: 4793
Blocpdb> 19 atoms in block 151
Block first atom: 4836
Blocpdb> 36 atoms in block 152
Block first atom: 4855
Blocpdb> 43 atoms in block 153
Block first atom: 4891
Blocpdb> 38 atoms in block 154
Block first atom: 4934
Blocpdb> 29 atoms in block 155
Block first atom: 4972
Blocpdb> 35 atoms in block 156
Block first atom: 5001
Blocpdb> 39 atoms in block 157
Block first atom: 5036
Blocpdb> 20 atoms in block 158
Block first atom: 5075
Blocpdb> 26 atoms in block 159
Block first atom: 5095
Blocpdb> 35 atoms in block 160
Block first atom: 5121
Blocpdb> 30 atoms in block 161
Block first atom: 5156
Blocpdb> 38 atoms in block 162
Block first atom: 5186
Blocpdb> 35 atoms in block 163
Block first atom: 5224
Blocpdb> 33 atoms in block 164
Block first atom: 5259
Blocpdb> 37 atoms in block 165
Block first atom: 5292
Blocpdb> 35 atoms in block 166
Block first atom: 5329
Blocpdb> 34 atoms in block 167
Block first atom: 5364
Blocpdb> 31 atoms in block 168
Block first atom: 5398
Blocpdb> 29 atoms in block 169
Block first atom: 5429
Blocpdb> 34 atoms in block 170
Block first atom: 5458
Blocpdb> 24 atoms in block 171
Block first atom: 5492
Blocpdb> 35 atoms in block 172
Block first atom: 5516
Blocpdb> 25 atoms in block 173
Block first atom: 5551
Blocpdb> 26 atoms in block 174
Block first atom: 5576
Blocpdb> 35 atoms in block 175
Block first atom: 5602
Blocpdb> 26 atoms in block 176
Block first atom: 5637
Blocpdb> 31 atoms in block 177
Block first atom: 5663
Blocpdb> 29 atoms in block 178
Block first atom: 5694
Blocpdb> 33 atoms in block 179
Block first atom: 5723
Blocpdb> 30 atoms in block 180
Block first atom: 5756
Blocpdb> 38 atoms in block 181
Block first atom: 5786
Blocpdb> 26 atoms in block 182
Block first atom: 5824
Blocpdb> 34 atoms in block 183
Block first atom: 5850
Blocpdb> 25 atoms in block 184
Block first atom: 5884
Blocpdb> 27 atoms in block 185
Block first atom: 5909
Blocpdb> 28 atoms in block 186
Block first atom: 5936
Blocpdb> 39 atoms in block 187
Block first atom: 5964
Blocpdb> 32 atoms in block 188
Block first atom: 6003
Blocpdb> 21 atoms in block 189
Block first atom: 6034
Blocpdb> 189 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 15 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> 4117670 matrix lines read.
Prepmat> Matrix order = 18165
Prepmat> Matrix trace = 9084220.0000
Prepmat> Last element read: 18165 18165 219.9608
Prepmat> 17956 lines saved.
Prepmat> 15817 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: 6055
RTB> Total mass = 6055.0000
RTB> Number of atoms found in matrix: 6055
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 473337.2426
RTB> 74133 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: 74133
Diagstd> Projected matrix trace = 473337.2426
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 = 473337.2426
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 0.3822309 0.6630915 1.1340900 2.0647830
2.4455290 3.6619659 4.0592353 4.7160290 5.3788965
6.4808831 7.7264660 8.5767021 9.6453698 10.7124079
11.6245097 11.7704499 12.0047611 12.8083250 16.1982375
16.9657143 18.4603623 20.5775313 21.0022335 21.8110720
22.9852574 23.7165893 26.5569457 27.4306619 27.6528803
29.1526952 31.4682814 31.9178406 32.4512222 32.8342146
34.3567142 35.4188751 37.0801267 38.4676375 40.1956277
40.8939926 42.3628107 43.4290017 44.3854826 44.7731566
46.7588864 49.3136519 49.4548281 50.0361003 51.0141807
52.5533465 53.5332075 54.8189863 55.6985472 56.3221535
58.2754389 58.6871998 60.3167650 62.3956201 63.2318107
64.0698215 64.8013162 65.4309058 66.9908834 67.6110275
69.1148753 70.3408017 72.5293083 72.6358927 74.4694691
75.6483559 76.9291304 77.5543464 78.4065098 79.6410447
80.3095529 82.2033449 83.0149151 84.1463135 85.5981524
85.8314066 88.3195959 88.8553250 89.8132913 90.2555773
92.5050601 92.5474604 93.6104712 94.1952433 95.0657863
96.5385405 97.6525322 99.3059922 101.2497034 102.0458898
104.2333115 105.3376486 105.7231691 106.4487637 107.2421247
109.3021047
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034290 0.0034320 0.0034322 0.0034338 0.0034353
0.0034356 67.1364211 88.4264131 115.6429182 156.0387585
169.8172048 207.8032956 218.7849239 235.8215625 251.8499539
276.4473127 301.8462106 318.0207387 337.2521460 355.4175188
370.2393730 372.5562148 376.2461295 388.6345884 437.0480244
447.2819320 466.5684747 492.5971734 497.6545982 507.1469131
520.6189433 528.8364689 559.6085521 568.7395418 571.0386019
586.3199025 609.1605816 613.4964172 618.6012725 622.2409609
636.5039331 646.2680147 661.2503042 673.5084328 688.4694719
694.4245038 706.7855533 715.6245047 723.4620478 726.6146292
742.5528339 762.5685025 763.6592713 768.1340334 775.6052471
787.2188203 794.5238034 804.0087596 810.4331814 814.9573974
828.9685547 831.8920510 843.3625282 857.7729229 863.5014864
869.2046423 874.1524793 878.3887127 888.7981309 892.9025191
902.7781613 910.7494911 924.8090012 925.4882715 937.0967016
944.4849175 952.4467229 956.3092383 961.5488248 969.0892019
973.1479774 984.5550976 989.4032764 996.1226775 1004.6793494
1006.0472892 1020.5253966 1023.6158690 1029.1189758 1031.6498149
1044.4268429 1044.6661750 1050.6486236 1053.9251452 1058.7840798
1066.9538742 1073.0921920 1082.1388967 1092.6779019 1096.9656762
1108.6604324 1114.5180078 1116.5556325 1120.3806286 1124.5479678
1135.2971372
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6055
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: 9.9710E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9884E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9895E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3822
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6631
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.134
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.065
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.446
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.662
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.059
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.716
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.379
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.481
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.726
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.577
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.645
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 10.71
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.77
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.20
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.97
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.46
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.58
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 21.81
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.56
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.43
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 27.65
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 29.15
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.47
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.92
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.45
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 32.83
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.36
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 35.42
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 37.08
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 38.47
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 40.20
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 40.89
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 42.36
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 43.43
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 44.39
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 44.77
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 46.76
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.31
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 49.45
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 50.04
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 51.01
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 52.55
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 53.53
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 54.82
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 55.70
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 56.32
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 58.28
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 58.69
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 60.32
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 62.40
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 63.23
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.07
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 64.80
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 65.43
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 66.99
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 67.61
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 69.11
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 70.34
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 72.53
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 72.64
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 74.47
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 75.65
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 77.55
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 78.41
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 80.31
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 82.20
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 83.01
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 84.15
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 85.60
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 85.83
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 88.32
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 88.86
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 89.81
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 90.26
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 92.51
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 92.55
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 93.61
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 94.20
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 95.07
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 96.54
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 97.65
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 99.31
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 102.0
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 104.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 105.3
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 106.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 107.2
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 109.3
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
1.00002 0.99997 1.00002 0.99999 1.00000
1.00001 1.00001 0.99998 0.99995 0.99999
1.00002 0.99999 1.00002 0.99995 1.00001
0.99997 0.99998 1.00000 0.99999 1.00000
1.00001 1.00001 0.99999 1.00000 0.99999
1.00001 1.00001 1.00000 1.00000 0.99999
1.00002 1.00001 1.00000 1.00001 1.00001
0.99997 1.00000 1.00000 1.00000 1.00001
1.00002 0.99999 1.00003 1.00001 1.00002
0.99999 1.00000 1.00001 0.99998 0.99998
1.00001 0.99999 0.99997 1.00000 1.00000
1.00001 0.99999 1.00000 1.00003 1.00001
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00002 1.00000 1.00000
1.00003 0.99999 1.00002 0.99999 1.00001
1.00000 0.99999 0.99999 1.00000 0.99998
1.00000 0.99999 0.99999 0.99998 0.99998
1.00000 1.00000 1.00000 1.00003 1.00003
0.99998 0.99998 1.00001 0.99999 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 108990 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
1.00002 0.99997 1.00002 0.99999 1.00000
1.00001 1.00001 0.99998 0.99995 0.99999
1.00002 0.99999 1.00002 0.99995 1.00001
0.99997 0.99998 1.00000 0.99999 1.00000
1.00001 1.00001 0.99999 1.00000 0.99999
1.00001 1.00001 1.00000 1.00000 0.99999
1.00002 1.00001 1.00000 1.00001 1.00001
0.99997 1.00000 1.00000 1.00000 1.00001
1.00002 0.99999 1.00003 1.00001 1.00002
0.99999 1.00000 1.00001 0.99998 0.99998
1.00001 0.99999 0.99997 1.00000 1.00000
1.00001 0.99999 1.00000 1.00003 1.00001
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00002 1.00000 1.00000
1.00003 0.99999 1.00002 0.99999 1.00001
1.00000 0.99999 0.99999 1.00000 0.99998
1.00000 0.99999 0.99999 0.99998 0.99998
1.00000 1.00000 1.00000 1.00003 1.00003
0.99998 0.99998 1.00001 0.99999 1.00002
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000 0.000-0.000-0.000
Vector 6:-0.000 0.000-0.000-0.000-0.000
Vector 7: 0.000-0.000 0.000-0.000-0.000-0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000 0.000-0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000-0.000 0.000 0.000
Vector 10:-0.000 0.000 0.000-0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404051739442459575.eigenfacs
Openam> file on opening on unit 10:
2404051739442459575.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404051739442459575.atom
Openam> file on opening on unit 11:
2404051739442459575.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 = 375
First residue number = 35
Last residue number = 320
Number of atoms found = 6055
Mean number per residue = 16.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9710E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9884E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9895E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 10.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 27.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 29.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 32.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 35.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 37.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 38.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 40.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 40.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 42.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 43.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 44.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 44.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 46.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 49.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 50.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 51.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 52.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 53.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 54.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 55.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 56.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 58.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 58.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 60.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 62.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 63.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 64.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 65.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 66.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 67.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 69.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 70.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 72.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 72.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 74.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 75.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 77.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 78.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 80.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 82.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 83.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 84.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 85.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 85.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 88.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 88.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 89.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 90.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 92.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 92.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 93.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 94.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 95.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 96.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 97.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 99.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 102.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 105.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 106.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 107.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 109.3
Bfactors> 106 vectors, 18165 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 : 0.382200
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> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404051739442459575 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=0
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=100
2404051739442459575.eigenfacs
2404051739442459575.atom
making animated gifs
11 models are in 2404051739442459575.7.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 2404051739442459575.7.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 2404051739442459575.7.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 2404051739442459575 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=0
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=100
2404051739442459575.eigenfacs
2404051739442459575.atom
making animated gifs
11 models are in 2404051739442459575.8.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 2404051739442459575.8.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 2404051739442459575.8.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 2404051739442459575 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=0
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=100
2404051739442459575.eigenfacs
2404051739442459575.atom
making animated gifs
11 models are in 2404051739442459575.9.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 2404051739442459575.9.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 2404051739442459575.9.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 2404051739442459575 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=0
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=100
2404051739442459575.eigenfacs
2404051739442459575.atom
making animated gifs
11 models are in 2404051739442459575.10.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 2404051739442459575.10.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 2404051739442459575.10.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 2404051739442459575 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=-20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=0
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=20
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=40
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=60
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=80
2404051739442459575.eigenfacs
2404051739442459575.atom
calculating perturbed structure for DQ=100
2404051739442459575.eigenfacs
2404051739442459575.atom
making animated gifs
11 models are in 2404051739442459575.11.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 2404051739442459575.11.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 2404051739442459575.11.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
2404051739442459575.10.pdb
2404051739442459575.11.pdb
2404051739442459575.7.pdb
2404051739442459575.8.pdb
2404051739442459575.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m32.579s
user 0m32.451s
sys 0m0.112s
../../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: 2404051739442459575.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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