*** Refine24_test ***
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 = 24050311354897704.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 24050311354897704.atom to be opened.
Openam> File opened: 24050311354897704.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 = 522
First residue number = 23
Last residue number = 544
Number of atoms found = 8137
Mean number per residue = 15.6
Pdbmat> Coordinate statistics:
= -12.092729 +/- 9.930429 From: -36.412000 To: 11.514000
= -5.052544 +/- 19.564490 From: -39.771000 To: 41.613000
= 21.162117 +/- 11.027863 From: -6.672000 To: 50.830000
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 2.1630 % Filled.
Pdbmat> 6444764 non-zero elements.
Pdbmat> 710788 atom-atom interactions.
Pdbmat> Number per atom= 174.71 +/- 50.02
Maximum number = 273
Minimum number = 27
Pdbmat> Matrix trace = 1.421576E+07
Pdbmat> Larger element = 1000.20
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
522 non-zero elements, NRBL set to 3
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 = 24050311354897704.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 24050311354897704.atom to be opened.
Openam> file on opening on unit 11:
24050311354897704.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8137 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 522 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 52 atoms in block 2
Block first atom: 34
Blocpdb> 48 atoms in block 3
Block first atom: 86
Blocpdb> 50 atoms in block 4
Block first atom: 134
Blocpdb> 57 atoms in block 5
Block first atom: 184
Blocpdb> 56 atoms in block 6
Block first atom: 241
Blocpdb> 42 atoms in block 7
Block first atom: 297
Blocpdb> 60 atoms in block 8
Block first atom: 339
Blocpdb> 63 atoms in block 9
Block first atom: 399
Blocpdb> 44 atoms in block 10
Block first atom: 462
Blocpdb> 50 atoms in block 11
Block first atom: 506
Blocpdb> 58 atoms in block 12
Block first atom: 556
Blocpdb> 50 atoms in block 13
Block first atom: 614
Blocpdb> 51 atoms in block 14
Block first atom: 664
Blocpdb> 40 atoms in block 15
Block first atom: 715
Blocpdb> 49 atoms in block 16
Block first atom: 755
Blocpdb> 39 atoms in block 17
Block first atom: 804
Blocpdb> 43 atoms in block 18
Block first atom: 843
Blocpdb> 62 atoms in block 19
Block first atom: 886
Blocpdb> 35 atoms in block 20
Block first atom: 948
Blocpdb> 39 atoms in block 21
Block first atom: 983
Blocpdb> 48 atoms in block 22
Block first atom: 1022
Blocpdb> 51 atoms in block 23
Block first atom: 1070
Blocpdb> 66 atoms in block 24
Block first atom: 1121
Blocpdb> 40 atoms in block 25
Block first atom: 1187
Blocpdb> 52 atoms in block 26
Block first atom: 1227
Blocpdb> 39 atoms in block 27
Block first atom: 1279
Blocpdb> 45 atoms in block 28
Block first atom: 1318
Blocpdb> 47 atoms in block 29
Block first atom: 1363
Blocpdb> 39 atoms in block 30
Block first atom: 1410
Blocpdb> 46 atoms in block 31
Block first atom: 1449
Blocpdb> 52 atoms in block 32
Block first atom: 1495
Blocpdb> 36 atoms in block 33
Block first atom: 1547
Blocpdb> 40 atoms in block 34
Block first atom: 1583
Blocpdb> 35 atoms in block 35
Block first atom: 1623
Blocpdb> 54 atoms in block 36
Block first atom: 1658
Blocpdb> 52 atoms in block 37
Block first atom: 1712
Blocpdb> 60 atoms in block 38
Block first atom: 1764
Blocpdb> 53 atoms in block 39
Block first atom: 1824
Blocpdb> 40 atoms in block 40
Block first atom: 1877
Blocpdb> 64 atoms in block 41
Block first atom: 1917
Blocpdb> 49 atoms in block 42
Block first atom: 1981
Blocpdb> 56 atoms in block 43
Block first atom: 2030
Blocpdb> 43 atoms in block 44
Block first atom: 2086
Blocpdb> 50 atoms in block 45
Block first atom: 2129
Blocpdb> 55 atoms in block 46
Block first atom: 2179
Blocpdb> 37 atoms in block 47
Block first atom: 2234
Blocpdb> 47 atoms in block 48
Block first atom: 2271
Blocpdb> 57 atoms in block 49
Block first atom: 2318
Blocpdb> 41 atoms in block 50
Block first atom: 2375
Blocpdb> 44 atoms in block 51
Block first atom: 2416
Blocpdb> 41 atoms in block 52
Block first atom: 2460
Blocpdb> 49 atoms in block 53
Block first atom: 2501
Blocpdb> 53 atoms in block 54
Block first atom: 2550
Blocpdb> 60 atoms in block 55
Block first atom: 2603
Blocpdb> 43 atoms in block 56
Block first atom: 2663
Blocpdb> 47 atoms in block 57
Block first atom: 2706
Blocpdb> 34 atoms in block 58
Block first atom: 2753
Blocpdb> 31 atoms in block 59
Block first atom: 2787
Blocpdb> 32 atoms in block 60
Block first atom: 2818
Blocpdb> 63 atoms in block 61
Block first atom: 2850
Blocpdb> 40 atoms in block 62
Block first atom: 2913
Blocpdb> 41 atoms in block 63
Block first atom: 2953
Blocpdb> 43 atoms in block 64
Block first atom: 2994
Blocpdb> 52 atoms in block 65
Block first atom: 3037
Blocpdb> 44 atoms in block 66
Block first atom: 3089
Blocpdb> 52 atoms in block 67
Block first atom: 3133
Blocpdb> 46 atoms in block 68
Block first atom: 3185
Blocpdb> 39 atoms in block 69
Block first atom: 3231
Blocpdb> 51 atoms in block 70
Block first atom: 3270
Blocpdb> 49 atoms in block 71
Block first atom: 3321
Blocpdb> 61 atoms in block 72
Block first atom: 3370
Blocpdb> 46 atoms in block 73
Block first atom: 3431
Blocpdb> 33 atoms in block 74
Block first atom: 3477
Blocpdb> 43 atoms in block 75
Block first atom: 3510
Blocpdb> 61 atoms in block 76
Block first atom: 3553
Blocpdb> 60 atoms in block 77
Block first atom: 3614
Blocpdb> 44 atoms in block 78
Block first atom: 3674
Blocpdb> 42 atoms in block 79
Block first atom: 3718
Blocpdb> 40 atoms in block 80
Block first atom: 3760
Blocpdb> 43 atoms in block 81
Block first atom: 3800
Blocpdb> 41 atoms in block 82
Block first atom: 3843
Blocpdb> 30 atoms in block 83
Block first atom: 3884
Blocpdb> 37 atoms in block 84
Block first atom: 3914
Blocpdb> 54 atoms in block 85
Block first atom: 3951
Blocpdb> 43 atoms in block 86
Block first atom: 4005
Blocpdb> 42 atoms in block 87
Block first atom: 4048
Blocpdb> 59 atoms in block 88
Block first atom: 4090
Blocpdb> 36 atoms in block 89
Block first atom: 4149
Blocpdb> 56 atoms in block 90
Block first atom: 4185
Blocpdb> 31 atoms in block 91
Block first atom: 4241
Blocpdb> 55 atoms in block 92
Block first atom: 4272
Blocpdb> 50 atoms in block 93
Block first atom: 4327
Blocpdb> 39 atoms in block 94
Block first atom: 4377
Blocpdb> 38 atoms in block 95
Block first atom: 4416
Blocpdb> 52 atoms in block 96
Block first atom: 4454
Blocpdb> 41 atoms in block 97
Block first atom: 4506
Blocpdb> 52 atoms in block 98
Block first atom: 4547
Blocpdb> 49 atoms in block 99
Block first atom: 4599
Blocpdb> 37 atoms in block 100
Block first atom: 4648
Blocpdb> 41 atoms in block 101
Block first atom: 4685
Blocpdb> 41 atoms in block 102
Block first atom: 4726
Blocpdb> 55 atoms in block 103
Block first atom: 4767
Blocpdb> 47 atoms in block 104
Block first atom: 4822
Blocpdb> 48 atoms in block 105
Block first atom: 4869
Blocpdb> 48 atoms in block 106
Block first atom: 4917
Blocpdb> 56 atoms in block 107
Block first atom: 4965
Blocpdb> 58 atoms in block 108
Block first atom: 5021
Blocpdb> 38 atoms in block 109
Block first atom: 5079
Blocpdb> 38 atoms in block 110
Block first atom: 5117
Blocpdb> 50 atoms in block 111
Block first atom: 5155
Blocpdb> 30 atoms in block 112
Block first atom: 5205
Blocpdb> 49 atoms in block 113
Block first atom: 5235
Blocpdb> 48 atoms in block 114
Block first atom: 5284
Blocpdb> 56 atoms in block 115
Block first atom: 5332
Blocpdb> 37 atoms in block 116
Block first atom: 5388
Blocpdb> 54 atoms in block 117
Block first atom: 5425
Blocpdb> 31 atoms in block 118
Block first atom: 5479
Blocpdb> 57 atoms in block 119
Block first atom: 5510
Blocpdb> 45 atoms in block 120
Block first atom: 5567
Blocpdb> 42 atoms in block 121
Block first atom: 5612
Blocpdb> 60 atoms in block 122
Block first atom: 5654
Blocpdb> 41 atoms in block 123
Block first atom: 5714
Blocpdb> 51 atoms in block 124
Block first atom: 5755
Blocpdb> 42 atoms in block 125
Block first atom: 5806
Blocpdb> 39 atoms in block 126
Block first atom: 5848
Blocpdb> 49 atoms in block 127
Block first atom: 5887
Blocpdb> 44 atoms in block 128
Block first atom: 5936
Blocpdb> 37 atoms in block 129
Block first atom: 5980
Blocpdb> 55 atoms in block 130
Block first atom: 6017
Blocpdb> 55 atoms in block 131
Block first atom: 6072
Blocpdb> 50 atoms in block 132
Block first atom: 6127
Blocpdb> 25 atoms in block 133
Block first atom: 6177
Blocpdb> 50 atoms in block 134
Block first atom: 6202
Blocpdb> 43 atoms in block 135
Block first atom: 6252
Blocpdb> 53 atoms in block 136
Block first atom: 6295
Blocpdb> 43 atoms in block 137
Block first atom: 6348
Blocpdb> 53 atoms in block 138
Block first atom: 6391
Blocpdb> 42 atoms in block 139
Block first atom: 6444
Blocpdb> 57 atoms in block 140
Block first atom: 6486
Blocpdb> 46 atoms in block 141
Block first atom: 6543
Blocpdb> 45 atoms in block 142
Block first atom: 6589
Blocpdb> 38 atoms in block 143
Block first atom: 6634
Blocpdb> 49 atoms in block 144
Block first atom: 6672
Blocpdb> 48 atoms in block 145
Block first atom: 6721
Blocpdb> 37 atoms in block 146
Block first atom: 6769
Blocpdb> 49 atoms in block 147
Block first atom: 6806
Blocpdb> 46 atoms in block 148
Block first atom: 6855
Blocpdb> 57 atoms in block 149
Block first atom: 6901
Blocpdb> 45 atoms in block 150
Block first atom: 6958
Blocpdb> 42 atoms in block 151
Block first atom: 7003
Blocpdb> 45 atoms in block 152
Block first atom: 7045
Blocpdb> 55 atoms in block 153
Block first atom: 7090
Blocpdb> 52 atoms in block 154
Block first atom: 7145
Blocpdb> 43 atoms in block 155
Block first atom: 7197
Blocpdb> 43 atoms in block 156
Block first atom: 7240
Blocpdb> 40 atoms in block 157
Block first atom: 7283
Blocpdb> 57 atoms in block 158
Block first atom: 7323
Blocpdb> 49 atoms in block 159
Block first atom: 7380
Blocpdb> 55 atoms in block 160
Block first atom: 7429
Blocpdb> 34 atoms in block 161
Block first atom: 7484
Blocpdb> 46 atoms in block 162
Block first atom: 7518
Blocpdb> 39 atoms in block 163
Block first atom: 7564
Blocpdb> 44 atoms in block 164
Block first atom: 7603
Blocpdb> 48 atoms in block 165
Block first atom: 7647
Blocpdb> 53 atoms in block 166
Block first atom: 7695
Blocpdb> 45 atoms in block 167
Block first atom: 7748
Blocpdb> 55 atoms in block 168
Block first atom: 7793
Blocpdb> 32 atoms in block 169
Block first atom: 7848
Blocpdb> 44 atoms in block 170
Block first atom: 7880
Blocpdb> 51 atoms in block 171
Block first atom: 7924
Blocpdb> 48 atoms in block 172
Block first atom: 7975
Blocpdb> 53 atoms in block 173
Block first atom: 8023
Blocpdb> 62 atoms in block 174
Block first atom: 8075
Blocpdb> 174 blocks.
Blocpdb> At most, 66 atoms in each of them.
Blocpdb> At least, 25 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> 6444938 matrix lines read.
Prepmat> Matrix order = 24411
Prepmat> Matrix trace = 14215760.0000
Prepmat> Last element read: 24411 24411 396.0272
Prepmat> 15226 lines saved.
Prepmat> 13110 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: 8137
RTB> Total mass = 8137.0000
RTB> Number of atoms found in matrix: 8137
RTB> Number of blocks = 174
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 490711.9241
RTB> 73530 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 = 1044
Diagstd> Nb of non-zero elements: 73530
Diagstd> Projected matrix trace = 490711.9241
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1044 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 490711.9241
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 2.1379757 2.7667764 4.6004264 9.3183675
13.6292404 15.2870010 15.8757313 20.8377126 24.5088206
24.8521290 27.8939960 33.2704993 34.1853855 35.2479378
37.7254065 38.9631577 39.9122589 42.6852064 44.8764431
46.8970882 48.7156892 50.2077544 51.9031930 54.1080772
54.7632170 55.7357437 57.8296807 59.1403473 59.2458217
63.9797295 64.1120884 65.3978403 66.4674189 69.1233808
69.5730902 71.5368204 73.3418265 74.0428221 75.0093387
76.6510183 77.4419562 79.6824286 81.7146922 82.5519548
85.3589932 85.6930925 87.8832408 89.3954623 90.1399245
92.0316729 93.9939588 95.4653837 96.5573597 97.5737784
98.6331931 100.3570380 101.7670512 102.5204798 103.5461514
104.2462934 106.1939521 108.7171419 110.2258361 110.5092146
112.9402047 113.7948773 115.6028195 116.5546589 116.9908961
119.1103958 120.0839445 121.9345636 122.4705626 123.5184800
124.2794723 125.7509078 126.0403340 126.8334974 128.0723794
128.9792280 130.2283700 131.0034750 132.2377309 132.5972776
133.6543663 134.7313891 135.5263492 138.2480304 138.6896954
139.1307937 140.7800539 142.3043578 143.4615731 143.5573183
144.6531126 146.9460274 149.2000944 151.5490684 151.6488534
152.0934664
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034301 0.0034329 0.0034340 0.0034345 0.0034349
0.0034358 158.7803181 180.6268501 232.9133193 331.4860045
400.8954305 424.5769635 432.6753472 495.7015793 537.5965666
541.3486767 573.5227470 626.3613325 634.9149033 644.7066306
666.9791290 677.8324458 686.0384142 709.4698974 727.4522540
743.6493788 757.9310614 769.4504874 782.3342040 798.7784333
803.5996823 810.7037475 825.7920116 835.0975616 835.8419113
868.5933103 869.4913024 878.1667378 885.3188018 902.8337090
905.7658178 918.4596827 929.9747157 934.4084600 940.4873287
950.7235344 955.6160550 969.3409531 981.6244225 986.6405514
1003.2748427 1005.2363585 1018.0012519 1026.7223536 1030.9886288
1041.7510301 1052.7984844 1061.0069814 1067.0578649 1072.6593969
1078.4669157 1087.8504547 1095.4659313 1099.5135738 1104.9999571
1108.7294705 1119.0388701 1132.2551207 1140.0843421 1141.5489174
1154.0365548 1158.3948982 1167.5607679 1172.3575892 1174.5494722
1185.1412492 1189.9747680 1199.1090879 1201.7417149 1206.8721059
1210.5841417 1217.7295494 1219.1300972 1222.9600331 1228.9183223
1233.2614799 1239.2190546 1242.9014316 1248.7427349 1250.4392118
1255.4136771 1260.4617584 1264.1748617 1276.8055350 1278.8434321
1280.8754789 1288.4448793 1295.4014540 1300.6578744 1301.0918269
1306.0481005 1316.3585696 1326.4162362 1336.8168646 1337.2568947
1339.2157841
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8137
Rtb_to_modes> Number of blocs = 174
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: 9.9774E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.138
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.767
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.600
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.318
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.63
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 15.29
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 15.88
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 20.84
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 24.51
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 33.27
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 34.19
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 35.25
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 37.73
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 38.96
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 39.91
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 42.69
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 44.88
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 46.90
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 48.72
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 50.21
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 51.90
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 54.11
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 54.76
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 55.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 57.83
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 59.14
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 59.25
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 63.98
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 64.11
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 65.40
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 66.47
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 69.12
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 69.57
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 71.54
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 73.34
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 74.04
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 75.01
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 76.65
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 77.44
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 79.68
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 81.71
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 82.55
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 85.36
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 85.69
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 87.88
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 89.40
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 90.14
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 92.03
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 93.99
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 95.47
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 96.56
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 97.57
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 98.63
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 100.4
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 101.8
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 102.5
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 103.5
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 104.2
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 106.2
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 108.7
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 110.5
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 115.6
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 116.6
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 117.0
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 120.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 121.9
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 122.5
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 123.5
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 124.3
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 125.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 126.0
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 126.8
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 128.1
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 129.0
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 130.2
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 131.0
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 132.2
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 132.6
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 133.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 134.7
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 135.5
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 138.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 138.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 139.1
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 140.8
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 142.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 143.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 143.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 144.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 146.9
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 149.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 151.5
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 151.6
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 152.1
Rtb_to_modes> 106 vectors, with 1044 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00001 0.99999
1.00000 1.00001 1.00001 0.99997 1.00001
0.99999 0.99997 0.99999 0.99999 0.99998
1.00002 0.99999 0.99999 1.00000 1.00001
1.00001 1.00000 0.99999 0.99997 1.00000
0.99998 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00001
1.00002 0.99999 0.99999 0.99997 1.00002
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 0.99998 0.99999 1.00001 1.00001
0.99998 0.99999 1.00002 1.00000 1.00000
1.00000 1.00002 1.00000 0.99999 0.99999
1.00001 0.99997 0.99998 1.00000 0.99999
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 1.00000 0.99998 0.99999 1.00001
1.00000 1.00002 0.99999 1.00001 0.99999
0.99998 0.99998 1.00001 1.00001 1.00002
1.00000 1.00001 0.99998 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 1.00000 1.00001
1.00001 1.00001 1.00000 1.00001 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 146466 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00001 0.99999
1.00000 1.00001 1.00001 0.99997 1.00001
0.99999 0.99997 0.99999 0.99999 0.99998
1.00002 0.99999 0.99999 1.00000 1.00001
1.00001 1.00000 0.99999 0.99997 1.00000
0.99998 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00001
1.00002 0.99999 0.99999 0.99997 1.00002
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 0.99998 0.99999 1.00001 1.00001
0.99998 0.99999 1.00002 1.00000 1.00000
1.00000 1.00002 1.00000 0.99999 0.99999
1.00001 0.99997 0.99998 1.00000 0.99999
0.99999 1.00001 1.00000 0.99999 1.00001
1.00000 1.00000 0.99998 0.99999 1.00001
1.00000 1.00002 0.99999 1.00001 0.99999
0.99998 0.99998 1.00001 1.00001 1.00002
1.00000 1.00001 0.99998 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 1.00000 1.00001
1.00001 1.00001 1.00000 1.00001 1.00001
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000-0.000 0.000 0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000 0.000 0.000
Vector 9:-0.000 0.000-0.000 0.000-0.000 0.000 0.000 0.000
Vector 10:-0.000 0.000 0.000-0.000-0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 24050311354897704.eigenfacs
Openam> file on opening on unit 10:
24050311354897704.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24050311354897704.atom
Openam> file on opening on unit 11:
24050311354897704.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 = 522
First residue number = 23
Last residue number = 544
Number of atoms found = 8137
Mean number per residue = 15.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9774E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-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: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 24.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 33.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 34.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 35.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 37.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 38.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 39.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 42.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 44.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 46.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 48.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 50.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 51.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 54.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 54.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 55.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 57.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 59.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 59.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 63.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 64.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 65.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 66.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 69.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 69.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 71.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 73.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 74.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 75.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 76.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 77.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 79.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 81.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 82.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 85.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 85.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 87.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 89.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 90.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 92.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 93.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 95.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 96.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 97.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 98.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 100.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 101.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 102.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 103.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 108.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 110.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 116.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 117.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 120.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 121.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 122.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 123.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 124.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 126.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 126.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 128.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 130.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 131.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 132.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 132.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 133.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 134.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 135.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 138.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 138.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 139.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 140.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 142.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 143.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 143.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 144.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 146.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 149.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 151.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 152.1
Bfactors> 106 vectors, 24411 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 2.138000
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= 0.536 for 524 C-alpha atoms.
Bfactors> = 0.004 +/- 0.00
Bfactors> = 20.498 +/- 4.97
Bfactors> Shiftng-fct= 20.494
Bfactors> Scaling-fct= 1331.043
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24050311354897704 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=0
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=100
24050311354897704.eigenfacs
24050311354897704.atom
making animated gifs
11 models are in 24050311354897704.7.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 24050311354897704.7.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 24050311354897704.7.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 24050311354897704 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=0
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=100
24050311354897704.eigenfacs
24050311354897704.atom
making animated gifs
11 models are in 24050311354897704.8.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 24050311354897704.8.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 24050311354897704.8.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 24050311354897704 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=0
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=100
24050311354897704.eigenfacs
24050311354897704.atom
making animated gifs
11 models are in 24050311354897704.9.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 24050311354897704.9.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 24050311354897704.9.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 24050311354897704 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=0
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=100
24050311354897704.eigenfacs
24050311354897704.atom
making animated gifs
11 models are in 24050311354897704.10.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 24050311354897704.10.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 24050311354897704.10.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 24050311354897704 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=-20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=0
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=20
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=40
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=60
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=80
24050311354897704.eigenfacs
24050311354897704.atom
calculating perturbed structure for DQ=100
24050311354897704.eigenfacs
24050311354897704.atom
making animated gifs
11 models are in 24050311354897704.11.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 24050311354897704.11.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 24050311354897704.11.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
24050311354897704.10.pdb
24050311354897704.11.pdb
24050311354897704.7.pdb
24050311354897704.8.pdb
24050311354897704.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m38.727s
user 0m38.524s
sys 0m0.172s
../../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: 24050311354897704.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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