*** ***
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 = 2404232236172138714.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 2404232236172138714.atom to be opened.
Openam> File opened: 2404232236172138714.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 = 356
First residue number = 19
Last residue number = 374
Number of atoms found = 5632
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= 17.520577 +/- 12.074101 From: -14.419000 To: 45.590000
= 4.389245 +/- 11.784385 From: -20.927000 To: 36.418000
= 7.177266 +/- 11.247721 From: -20.420000 To: 38.380000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.0020 % Filled.
Pdbmat> 4285260 non-zero elements.
Pdbmat> 472462 atom-atom interactions.
Pdbmat> Number per atom= 167.78 +/- 49.84
Maximum number = 255
Minimum number = 23
Pdbmat> Matrix trace = 9.449240E+06
Pdbmat> Larger element = 893.180
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
356 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 = 2404232236172138714.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 2404232236172138714.atom to be opened.
Openam> file on opening on unit 11:
2404232236172138714.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5632 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> 356 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 30
Blocpdb> 24 atoms in block 3
Block first atom: 59
Blocpdb> 31 atoms in block 4
Block first atom: 83
Blocpdb> 41 atoms in block 5
Block first atom: 114
Blocpdb> 25 atoms in block 6
Block first atom: 155
Blocpdb> 27 atoms in block 7
Block first atom: 180
Blocpdb> 44 atoms in block 8
Block first atom: 207
Blocpdb> 36 atoms in block 9
Block first atom: 251
Blocpdb> 22 atoms in block 10
Block first atom: 287
Blocpdb> 34 atoms in block 11
Block first atom: 309
Blocpdb> 33 atoms in block 12
Block first atom: 343
Blocpdb> 30 atoms in block 13
Block first atom: 376
Blocpdb> 41 atoms in block 14
Block first atom: 406
Blocpdb> 43 atoms in block 15
Block first atom: 447
Blocpdb> 33 atoms in block 16
Block first atom: 490
Blocpdb> 37 atoms in block 17
Block first atom: 523
Blocpdb> 39 atoms in block 18
Block first atom: 560
Blocpdb> 36 atoms in block 19
Block first atom: 599
Blocpdb> 41 atoms in block 20
Block first atom: 635
Blocpdb> 38 atoms in block 21
Block first atom: 676
Blocpdb> 36 atoms in block 22
Block first atom: 714
Blocpdb> 27 atoms in block 23
Block first atom: 750
Blocpdb> 17 atoms in block 24
Block first atom: 777
Blocpdb> 33 atoms in block 25
Block first atom: 794
Blocpdb> 31 atoms in block 26
Block first atom: 827
Blocpdb> 35 atoms in block 27
Block first atom: 858
Blocpdb> 28 atoms in block 28
Block first atom: 893
Blocpdb> 23 atoms in block 29
Block first atom: 921
Blocpdb> 29 atoms in block 30
Block first atom: 944
Blocpdb> 31 atoms in block 31
Block first atom: 973
Blocpdb> 18 atoms in block 32
Block first atom: 1004
Blocpdb> 23 atoms in block 33
Block first atom: 1022
Blocpdb> 37 atoms in block 34
Block first atom: 1045
Blocpdb> 24 atoms in block 35
Block first atom: 1082
Blocpdb> 22 atoms in block 36
Block first atom: 1106
Blocpdb> 26 atoms in block 37
Block first atom: 1128
Blocpdb> 35 atoms in block 38
Block first atom: 1154
Blocpdb> 36 atoms in block 39
Block first atom: 1189
Blocpdb> 22 atoms in block 40
Block first atom: 1225
Blocpdb> 39 atoms in block 41
Block first atom: 1247
Blocpdb> 28 atoms in block 42
Block first atom: 1286
Blocpdb> 35 atoms in block 43
Block first atom: 1314
Blocpdb> 27 atoms in block 44
Block first atom: 1349
Blocpdb> 38 atoms in block 45
Block first atom: 1376
Blocpdb> 14 atoms in block 46
Block first atom: 1414
Blocpdb> 42 atoms in block 47
Block first atom: 1428
Blocpdb> 28 atoms in block 48
Block first atom: 1470
Blocpdb> 34 atoms in block 49
Block first atom: 1498
Blocpdb> 31 atoms in block 50
Block first atom: 1532
Blocpdb> 28 atoms in block 51
Block first atom: 1563
Blocpdb> 32 atoms in block 52
Block first atom: 1591
Blocpdb> 19 atoms in block 53
Block first atom: 1623
Blocpdb> 31 atoms in block 54
Block first atom: 1642
Blocpdb> 33 atoms in block 55
Block first atom: 1673
Blocpdb> 30 atoms in block 56
Block first atom: 1706
Blocpdb> 28 atoms in block 57
Block first atom: 1736
Blocpdb> 29 atoms in block 58
Block first atom: 1764
Blocpdb> 36 atoms in block 59
Block first atom: 1793
Blocpdb> 37 atoms in block 60
Block first atom: 1829
Blocpdb> 27 atoms in block 61
Block first atom: 1866
Blocpdb> 38 atoms in block 62
Block first atom: 1893
Blocpdb> 40 atoms in block 63
Block first atom: 1931
Blocpdb> 18 atoms in block 64
Block first atom: 1971
Blocpdb> 35 atoms in block 65
Block first atom: 1989
Blocpdb> 36 atoms in block 66
Block first atom: 2024
Blocpdb> 28 atoms in block 67
Block first atom: 2060
Blocpdb> 34 atoms in block 68
Block first atom: 2088
Blocpdb> 28 atoms in block 69
Block first atom: 2122
Blocpdb> 30 atoms in block 70
Block first atom: 2150
Blocpdb> 29 atoms in block 71
Block first atom: 2180
Blocpdb> 27 atoms in block 72
Block first atom: 2209
Blocpdb> 43 atoms in block 73
Block first atom: 2236
Blocpdb> 32 atoms in block 74
Block first atom: 2279
Blocpdb> 27 atoms in block 75
Block first atom: 2311
Blocpdb> 38 atoms in block 76
Block first atom: 2338
Blocpdb> 22 atoms in block 77
Block first atom: 2376
Blocpdb> 36 atoms in block 78
Block first atom: 2398
Blocpdb> 29 atoms in block 79
Block first atom: 2434
Blocpdb> 31 atoms in block 80
Block first atom: 2463
Blocpdb> 19 atoms in block 81
Block first atom: 2494
Blocpdb> 41 atoms in block 82
Block first atom: 2513
Blocpdb> 21 atoms in block 83
Block first atom: 2554
Blocpdb> 42 atoms in block 84
Block first atom: 2575
Blocpdb> 33 atoms in block 85
Block first atom: 2617
Blocpdb> 21 atoms in block 86
Block first atom: 2650
Blocpdb> 29 atoms in block 87
Block first atom: 2671
Blocpdb> 44 atoms in block 88
Block first atom: 2700
Blocpdb> 31 atoms in block 89
Block first atom: 2744
Blocpdb> 34 atoms in block 90
Block first atom: 2775
Blocpdb> 38 atoms in block 91
Block first atom: 2809
Blocpdb> 24 atoms in block 92
Block first atom: 2847
Blocpdb> 37 atoms in block 93
Block first atom: 2871
Blocpdb> 39 atoms in block 94
Block first atom: 2908
Blocpdb> 37 atoms in block 95
Block first atom: 2947
Blocpdb> 19 atoms in block 96
Block first atom: 2984
Blocpdb> 44 atoms in block 97
Block first atom: 3003
Blocpdb> 36 atoms in block 98
Block first atom: 3047
Blocpdb> 20 atoms in block 99
Block first atom: 3083
Blocpdb> 24 atoms in block 100
Block first atom: 3103
Blocpdb> 35 atoms in block 101
Block first atom: 3127
Blocpdb> 45 atoms in block 102
Block first atom: 3162
Blocpdb> 28 atoms in block 103
Block first atom: 3207
Blocpdb> 31 atoms in block 104
Block first atom: 3235
Blocpdb> 26 atoms in block 105
Block first atom: 3266
Blocpdb> 39 atoms in block 106
Block first atom: 3292
Blocpdb> 26 atoms in block 107
Block first atom: 3331
Blocpdb> 32 atoms in block 108
Block first atom: 3357
Blocpdb> 34 atoms in block 109
Block first atom: 3389
Blocpdb> 35 atoms in block 110
Block first atom: 3423
Blocpdb> 40 atoms in block 111
Block first atom: 3458
Blocpdb> 29 atoms in block 112
Block first atom: 3498
Blocpdb> 27 atoms in block 113
Block first atom: 3527
Blocpdb> 36 atoms in block 114
Block first atom: 3554
Blocpdb> 43 atoms in block 115
Block first atom: 3590
Blocpdb> 30 atoms in block 116
Block first atom: 3633
Blocpdb> 34 atoms in block 117
Block first atom: 3663
Blocpdb> 24 atoms in block 118
Block first atom: 3697
Blocpdb> 19 atoms in block 119
Block first atom: 3721
Blocpdb> 41 atoms in block 120
Block first atom: 3740
Blocpdb> 33 atoms in block 121
Block first atom: 3781
Blocpdb> 32 atoms in block 122
Block first atom: 3814
Blocpdb> 41 atoms in block 123
Block first atom: 3846
Blocpdb> 27 atoms in block 124
Block first atom: 3887
Blocpdb> 23 atoms in block 125
Block first atom: 3914
Blocpdb> 37 atoms in block 126
Block first atom: 3937
Blocpdb> 34 atoms in block 127
Block first atom: 3974
Blocpdb> 44 atoms in block 128
Block first atom: 4008
Blocpdb> 33 atoms in block 129
Block first atom: 4052
Blocpdb> 31 atoms in block 130
Block first atom: 4085
Blocpdb> 36 atoms in block 131
Block first atom: 4116
Blocpdb> 36 atoms in block 132
Block first atom: 4152
Blocpdb> 26 atoms in block 133
Block first atom: 4188
Blocpdb> 39 atoms in block 134
Block first atom: 4214
Blocpdb> 34 atoms in block 135
Block first atom: 4253
Blocpdb> 25 atoms in block 136
Block first atom: 4287
Blocpdb> 28 atoms in block 137
Block first atom: 4312
Blocpdb> 26 atoms in block 138
Block first atom: 4340
Blocpdb> 28 atoms in block 139
Block first atom: 4366
Blocpdb> 43 atoms in block 140
Block first atom: 4394
Blocpdb> 21 atoms in block 141
Block first atom: 4437
Blocpdb> 33 atoms in block 142
Block first atom: 4458
Blocpdb> 41 atoms in block 143
Block first atom: 4491
Blocpdb> 33 atoms in block 144
Block first atom: 4532
Blocpdb> 41 atoms in block 145
Block first atom: 4565
Blocpdb> 20 atoms in block 146
Block first atom: 4606
Blocpdb> 34 atoms in block 147
Block first atom: 4626
Blocpdb> 32 atoms in block 148
Block first atom: 4660
Blocpdb> 31 atoms in block 149
Block first atom: 4692
Blocpdb> 30 atoms in block 150
Block first atom: 4723
Blocpdb> 20 atoms in block 151
Block first atom: 4753
Blocpdb> 43 atoms in block 152
Block first atom: 4773
Blocpdb> 33 atoms in block 153
Block first atom: 4816
Blocpdb> 33 atoms in block 154
Block first atom: 4849
Blocpdb> 31 atoms in block 155
Block first atom: 4882
Blocpdb> 38 atoms in block 156
Block first atom: 4913
Blocpdb> 22 atoms in block 157
Block first atom: 4951
Blocpdb> 31 atoms in block 158
Block first atom: 4973
Blocpdb> 26 atoms in block 159
Block first atom: 5004
Blocpdb> 22 atoms in block 160
Block first atom: 5030
Blocpdb> 23 atoms in block 161
Block first atom: 5052
Blocpdb> 33 atoms in block 162
Block first atom: 5075
Blocpdb> 30 atoms in block 163
Block first atom: 5108
Blocpdb> 36 atoms in block 164
Block first atom: 5138
Blocpdb> 48 atoms in block 165
Block first atom: 5174
Blocpdb> 24 atoms in block 166
Block first atom: 5222
Blocpdb> 33 atoms in block 167
Block first atom: 5246
Blocpdb> 36 atoms in block 168
Block first atom: 5279
Blocpdb> 27 atoms in block 169
Block first atom: 5315
Blocpdb> 40 atoms in block 170
Block first atom: 5342
Blocpdb> 32 atoms in block 171
Block first atom: 5382
Blocpdb> 29 atoms in block 172
Block first atom: 5414
Blocpdb> 26 atoms in block 173
Block first atom: 5443
Blocpdb> 32 atoms in block 174
Block first atom: 5469
Blocpdb> 38 atoms in block 175
Block first atom: 5501
Blocpdb> 41 atoms in block 176
Block first atom: 5539
Blocpdb> 32 atoms in block 177
Block first atom: 5580
Blocpdb> 21 atoms in block 178
Block first atom: 5611
Blocpdb> 178 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 14 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> 4285438 matrix lines read.
Prepmat> Matrix order = 16896
Prepmat> Matrix trace = 9449240.0000
Prepmat> Last element read: 16896 16896 320.5208
Prepmat> 15932 lines saved.
Prepmat> 13530 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: 5632
RTB> Total mass = 5632.0000
RTB> Number of atoms found in matrix: 5632
RTB> Number of blocks = 178
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 508938.4396
RTB> 83766 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 = 1068
Diagstd> Nb of non-zero elements: 83766
Diagstd> Projected matrix trace = 508938.4396
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1068 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 508938.4396
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 4.7124707 7.1010769 8.8003501 13.7941674
14.8118281 15.5073447 19.3397466 21.0520305 23.0047861
24.9549577 27.4915828 28.8090361 31.2808869 33.8063564
36.0007658 38.5565129 39.4202928 39.8414050 42.6967444
43.4870390 46.8059914 49.6233724 51.0696031 52.4172835
53.7752983 56.2347493 57.1149033 60.3049510 60.7616084
63.5844943 67.2994609 67.7732556 69.2851777 70.4027002
71.4760321 73.3290508 74.3275932 76.4076972 77.2295833
78.5042420 80.1545426 80.5489903 81.2134374 83.5765973
85.2356064 86.1373609 87.7807458 89.1546100 90.7453293
92.0518553 94.7466865 95.8915871 96.5915045 98.9576693
101.2586470 102.4035224 103.3331635 103.9642011 106.9194509
107.6324121 110.1915271 110.2910174 112.8318453 113.9668863
115.3113768 116.7381874 118.2849202 119.2688046 120.4646018
121.3254954 123.3284324 124.6405247 125.8412154 127.0619095
128.0116908 128.4550240 129.9241309 131.9733578 132.4096681
133.1348853 134.8657843 136.2514568 136.8360565 138.5034344
139.0417388 140.7573816 142.2010295 143.4963164 144.4433774
145.3246638 147.2319002 147.5775434 148.7025946 150.1050376
152.0574863 152.8316486 153.2215019 154.3758527 156.4999545
158.3447341
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034309 0.0034336 0.0034340 0.0034350 0.0034369
0.0034373 235.7325800 289.3725873 322.1404456 403.3137474
417.9262138 427.6258994 477.5520015 498.2442274 520.8400592
542.4674688 569.3707497 582.8538160 607.3440891 631.3852957
651.5551021 674.2860189 681.7971844 685.4292013 709.5657776
716.1025152 742.9267649 764.9594571 776.0264461 786.1990875
796.3182967 814.3248014 820.6727314 843.2799311 846.4667648
865.9062832 890.8427973 893.9731074 903.8897218 911.1501238
918.0693693 929.8937138 936.2036185 949.2133458 954.3048390
962.1479136 972.2083579 974.5975845 978.6090476 992.7448046
1002.5494610 1007.8387704 1017.4074503 1025.3383060 1034.4450379
1041.8652508 1057.0056179 1063.3727664 1067.2465157 1080.2393899
1092.7261603 1098.8862215 1103.8629144 1107.2283333 1122.8549039
1126.5923992 1139.9068966 1140.4213830 1153.4828071 1159.2700654
1166.0880885 1173.2802311 1181.0273928 1185.9290662 1191.8593423
1196.1105390 1205.9432915 1212.3413400 1218.1667252 1224.0607407
1228.6271192 1230.7527861 1237.7706784 1247.4938508 1249.5542867
1252.9715631 1261.0902602 1267.5522120 1270.2685774 1277.9843968
1280.4654817 1288.3411247 1294.9310680 1300.8153605 1305.1009251
1309.0762499 1317.6383873 1319.1841317 1324.2029572 1330.4327104
1339.0573685 1342.4617769 1344.1729076 1349.2268185 1358.4773070
1366.4605336
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5632
Rtb_to_modes> Number of blocs = 178
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: 9.9824E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0017E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0019E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.712
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.101
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.800
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 15.51
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 19.34
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 21.05
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 24.95
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 28.81
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 31.28
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 36.00
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 38.56
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 39.42
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 39.84
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 42.70
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 43.49
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 46.81
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 49.62
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 51.07
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 52.42
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 53.78
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 56.23
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 57.11
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 60.30
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 60.76
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 63.58
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 67.30
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 67.77
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 69.29
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 70.40
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 71.48
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 73.33
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 74.33
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 76.41
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 77.23
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 78.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 80.15
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 80.55
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 81.21
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 83.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 85.24
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 86.14
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 87.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 89.15
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 90.75
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 92.05
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 94.75
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 95.89
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 96.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 98.96
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 101.3
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 102.4
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 104.0
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 106.9
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 107.6
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 110.3
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 112.8
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 114.0
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 115.3
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 116.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 118.3
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 119.3
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 121.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 123.3
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 124.6
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 125.8
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 127.1
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 128.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 128.5
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 129.9
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 132.0
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 132.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 133.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 134.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 136.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 136.8
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 138.5
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 139.0
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 140.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 142.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 143.5
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 144.4
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 145.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 147.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 147.6
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 148.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 150.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 152.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 152.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 153.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 154.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 156.5
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 158.3
Rtb_to_modes> 106 vectors, with 1068 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 0.99999 1.00002 1.00000 1.00002
0.99999 0.99999 1.00002 1.00003 0.99998
1.00002 1.00000 1.00001 1.00001 0.99998
1.00000 1.00001 1.00001 1.00001 1.00001
1.00001 1.00000 1.00000 0.99998 1.00000
1.00002 1.00002 1.00000 1.00000 0.99999
0.99997 1.00000 1.00000 1.00004 1.00001
0.99998 1.00001 1.00000 0.99998 1.00002
0.99998 1.00001 1.00000 0.99999 0.99997
1.00000 1.00000 1.00000 1.00000 1.00000
1.00001 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00001 1.00002 1.00000
1.00002 0.99999 1.00002 1.00000 1.00000
1.00001 1.00001 1.00002 1.00002 1.00000
0.99997 1.00002 0.99998 0.99999 1.00000
1.00001 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00001
1.00001 0.99997 1.00002 0.99999 1.00001
0.99999 1.00001 1.00000 1.00001 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 101376 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 0.99999 1.00002 1.00000 1.00002
0.99999 0.99999 1.00002 1.00003 0.99998
1.00002 1.00000 1.00001 1.00001 0.99998
1.00000 1.00001 1.00001 1.00001 1.00001
1.00001 1.00000 1.00000 0.99998 1.00000
1.00002 1.00002 1.00000 1.00000 0.99999
0.99997 1.00000 1.00000 1.00004 1.00001
0.99998 1.00001 1.00000 0.99998 1.00002
0.99998 1.00001 1.00000 0.99999 0.99997
1.00000 1.00000 1.00000 1.00000 1.00000
1.00001 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00001 1.00002 1.00000
1.00002 0.99999 1.00002 1.00000 1.00000
1.00001 1.00001 1.00002 1.00002 1.00000
0.99997 1.00002 0.99998 0.99999 1.00000
1.00001 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00001
1.00001 0.99997 1.00002 0.99999 1.00001
0.99999 1.00001 1.00000 1.00001 1.00000
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> 2404232236172138714.eigenfacs
Openam> file on opening on unit 10:
2404232236172138714.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404232236172138714.atom
Openam> file on opening on unit 11:
2404232236172138714.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 = 356
First residue number = 19
Last residue number = 374
Number of atoms found = 5632
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9824E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-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: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 19.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 21.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 24.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 28.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 31.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 36.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 38.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 39.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 39.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 42.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 43.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 46.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 49.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 51.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 52.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 53.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 56.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 57.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 60.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 60.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 63.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 67.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 67.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 69.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 70.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 71.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 73.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 74.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 76.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 77.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 78.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 80.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 80.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 81.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 83.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 85.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 86.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 87.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 89.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 90.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 92.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 94.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 95.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 96.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 98.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 101.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 102.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 104.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 106.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 107.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 110.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 112.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 114.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 115.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 116.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 119.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 121.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 123.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 124.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 127.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 128.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 128.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 129.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 132.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 132.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 133.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 134.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 136.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 136.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 138.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 139.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 140.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 142.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 143.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 144.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 145.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 147.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 147.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 148.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 152.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 152.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 153.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 154.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 156.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 158.3
Bfactors> 106 vectors, 16896 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 : 4.712000
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= -0.716 for 356 C-alpha atoms.
Bfactors> = 0.005 +/- 0.00
Bfactors> = 0.862 +/- 0.06
Bfactors> Shiftng-fct= 0.857
Bfactors> Scaling-fct= 14.889
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404232236172138714 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=0
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=100
2404232236172138714.eigenfacs
2404232236172138714.atom
making animated gifs
11 models are in 2404232236172138714.7.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 2404232236172138714.7.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 2404232236172138714.7.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 2404232236172138714 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=0
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=100
2404232236172138714.eigenfacs
2404232236172138714.atom
making animated gifs
11 models are in 2404232236172138714.8.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 2404232236172138714.8.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 2404232236172138714.8.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 2404232236172138714 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=0
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=100
2404232236172138714.eigenfacs
2404232236172138714.atom
making animated gifs
11 models are in 2404232236172138714.9.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 2404232236172138714.9.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 2404232236172138714.9.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 2404232236172138714 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=0
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=100
2404232236172138714.eigenfacs
2404232236172138714.atom
making animated gifs
11 models are in 2404232236172138714.10.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 2404232236172138714.10.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 2404232236172138714.10.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 2404232236172138714 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=-20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=0
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=20
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=40
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=60
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=80
2404232236172138714.eigenfacs
2404232236172138714.atom
calculating perturbed structure for DQ=100
2404232236172138714.eigenfacs
2404232236172138714.atom
making animated gifs
11 models are in 2404232236172138714.11.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 2404232236172138714.11.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 2404232236172138714.11.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
2404232236172138714.10.pdb
2404232236172138714.11.pdb
2404232236172138714.7.pdb
2404232236172138714.8.pdb
2404232236172138714.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.652s
user 0m28.511s
sys 0m0.140s
../../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: 2404232236172138714.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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