*** ***
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 = 2401161743351318745.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 2401161743351318745.atom to be opened.
Openam> File opened: 2401161743351318745.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 = 360
First residue number = 1
Last residue number = 360
Number of atoms found = 5800
Mean number per residue = 16.1
Pdbmat> Coordinate statistics:
= -1.777206 +/- 14.541636 From: -35.138000 To: 28.638000
= 1.201291 +/- 8.660024 From: -24.916000 To: 24.640000
= -1.400322 +/- 13.158108 From: -38.796000 To: 28.199000
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 2.8103 % Filled.
Pdbmat> 4254526 non-zero elements.
Pdbmat> 468939 atom-atom interactions.
Pdbmat> Number per atom= 161.70 +/- 51.33
Maximum number = 253
Minimum number = 20
Pdbmat> Matrix trace = 9.378780E+06
Pdbmat> Larger element = 895.951
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
360 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 = 2401161743351318745.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 2401161743351318745.atom to be opened.
Openam> file on opening on unit 11:
2401161743351318745.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5800 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> 360 residues.
Blocpdb> 38 atoms in block 1
Block first atom: 1
Blocpdb> 28 atoms in block 2
Block first atom: 39
Blocpdb> 38 atoms in block 3
Block first atom: 67
Blocpdb> 22 atoms in block 4
Block first atom: 105
Blocpdb> 36 atoms in block 5
Block first atom: 127
Blocpdb> 34 atoms in block 6
Block first atom: 163
Blocpdb> 35 atoms in block 7
Block first atom: 197
Blocpdb> 28 atoms in block 8
Block first atom: 232
Blocpdb> 26 atoms in block 9
Block first atom: 260
Blocpdb> 36 atoms in block 10
Block first atom: 286
Blocpdb> 34 atoms in block 11
Block first atom: 322
Blocpdb> 39 atoms in block 12
Block first atom: 356
Blocpdb> 36 atoms in block 13
Block first atom: 395
Blocpdb> 35 atoms in block 14
Block first atom: 431
Blocpdb> 31 atoms in block 15
Block first atom: 466
Blocpdb> 36 atoms in block 16
Block first atom: 497
Blocpdb> 34 atoms in block 17
Block first atom: 533
Blocpdb> 34 atoms in block 18
Block first atom: 567
Blocpdb> 36 atoms in block 19
Block first atom: 601
Blocpdb> 35 atoms in block 20
Block first atom: 637
Blocpdb> 26 atoms in block 21
Block first atom: 672
Blocpdb> 31 atoms in block 22
Block first atom: 698
Blocpdb> 30 atoms in block 23
Block first atom: 729
Blocpdb> 35 atoms in block 24
Block first atom: 759
Blocpdb> 43 atoms in block 25
Block first atom: 794
Blocpdb> 26 atoms in block 26
Block first atom: 837
Blocpdb> 31 atoms in block 27
Block first atom: 863
Blocpdb> 17 atoms in block 28
Block first atom: 894
Blocpdb> 24 atoms in block 29
Block first atom: 911
Blocpdb> 28 atoms in block 30
Block first atom: 935
Blocpdb> 38 atoms in block 31
Block first atom: 963
Blocpdb> 40 atoms in block 32
Block first atom: 1001
Blocpdb> 41 atoms in block 33
Block first atom: 1041
Blocpdb> 32 atoms in block 34
Block first atom: 1082
Blocpdb> 29 atoms in block 35
Block first atom: 1114
Blocpdb> 18 atoms in block 36
Block first atom: 1143
Blocpdb> 17 atoms in block 37
Block first atom: 1161
Blocpdb> 29 atoms in block 38
Block first atom: 1178
Blocpdb> 24 atoms in block 39
Block first atom: 1207
Blocpdb> 41 atoms in block 40
Block first atom: 1231
Blocpdb> 33 atoms in block 41
Block first atom: 1272
Blocpdb> 23 atoms in block 42
Block first atom: 1305
Blocpdb> 22 atoms in block 43
Block first atom: 1328
Blocpdb> 35 atoms in block 44
Block first atom: 1350
Blocpdb> 36 atoms in block 45
Block first atom: 1385
Blocpdb> 30 atoms in block 46
Block first atom: 1421
Blocpdb> 31 atoms in block 47
Block first atom: 1451
Blocpdb> 27 atoms in block 48
Block first atom: 1482
Blocpdb> 43 atoms in block 49
Block first atom: 1509
Blocpdb> 29 atoms in block 50
Block first atom: 1552
Blocpdb> 37 atoms in block 51
Block first atom: 1581
Blocpdb> 38 atoms in block 52
Block first atom: 1618
Blocpdb> 25 atoms in block 53
Block first atom: 1656
Blocpdb> 38 atoms in block 54
Block first atom: 1681
Blocpdb> 39 atoms in block 55
Block first atom: 1719
Blocpdb> 36 atoms in block 56
Block first atom: 1758
Blocpdb> 46 atoms in block 57
Block first atom: 1794
Blocpdb> 35 atoms in block 58
Block first atom: 1840
Blocpdb> 26 atoms in block 59
Block first atom: 1875
Blocpdb> 34 atoms in block 60
Block first atom: 1901
Blocpdb> 39 atoms in block 61
Block first atom: 1935
Blocpdb> 37 atoms in block 62
Block first atom: 1974
Blocpdb> 31 atoms in block 63
Block first atom: 2011
Blocpdb> 35 atoms in block 64
Block first atom: 2042
Blocpdb> 31 atoms in block 65
Block first atom: 2077
Blocpdb> 35 atoms in block 66
Block first atom: 2108
Blocpdb> 35 atoms in block 67
Block first atom: 2143
Blocpdb> 28 atoms in block 68
Block first atom: 2178
Blocpdb> 40 atoms in block 69
Block first atom: 2206
Blocpdb> 30 atoms in block 70
Block first atom: 2246
Blocpdb> 37 atoms in block 71
Block first atom: 2276
Blocpdb> 30 atoms in block 72
Block first atom: 2313
Blocpdb> 33 atoms in block 73
Block first atom: 2343
Blocpdb> 33 atoms in block 74
Block first atom: 2376
Blocpdb> 32 atoms in block 75
Block first atom: 2409
Blocpdb> 30 atoms in block 76
Block first atom: 2441
Blocpdb> 31 atoms in block 77
Block first atom: 2471
Blocpdb> 28 atoms in block 78
Block first atom: 2502
Blocpdb> 33 atoms in block 79
Block first atom: 2530
Blocpdb> 31 atoms in block 80
Block first atom: 2563
Blocpdb> 22 atoms in block 81
Block first atom: 2594
Blocpdb> 36 atoms in block 82
Block first atom: 2616
Blocpdb> 36 atoms in block 83
Block first atom: 2652
Blocpdb> 27 atoms in block 84
Block first atom: 2688
Blocpdb> 28 atoms in block 85
Block first atom: 2715
Blocpdb> 38 atoms in block 86
Block first atom: 2743
Blocpdb> 28 atoms in block 87
Block first atom: 2781
Blocpdb> 30 atoms in block 88
Block first atom: 2809
Blocpdb> 40 atoms in block 89
Block first atom: 2839
Blocpdb> 36 atoms in block 90
Block first atom: 2879
Blocpdb> 37 atoms in block 91
Block first atom: 2915
Blocpdb> 28 atoms in block 92
Block first atom: 2952
Blocpdb> 35 atoms in block 93
Block first atom: 2980
Blocpdb> 14 atoms in block 94
Block first atom: 3015
Blocpdb> 35 atoms in block 95
Block first atom: 3029
Blocpdb> 25 atoms in block 96
Block first atom: 3064
Blocpdb> 31 atoms in block 97
Block first atom: 3089
Blocpdb> 29 atoms in block 98
Block first atom: 3120
Blocpdb> 36 atoms in block 99
Block first atom: 3149
Blocpdb> 36 atoms in block 100
Block first atom: 3185
Blocpdb> 39 atoms in block 101
Block first atom: 3221
Blocpdb> 30 atoms in block 102
Block first atom: 3260
Blocpdb> 38 atoms in block 103
Block first atom: 3290
Blocpdb> 36 atoms in block 104
Block first atom: 3328
Blocpdb> 38 atoms in block 105
Block first atom: 3364
Blocpdb> 30 atoms in block 106
Block first atom: 3402
Blocpdb> 43 atoms in block 107
Block first atom: 3432
Blocpdb> 35 atoms in block 108
Block first atom: 3475
Blocpdb> 39 atoms in block 109
Block first atom: 3510
Blocpdb> 45 atoms in block 110
Block first atom: 3549
Blocpdb> 36 atoms in block 111
Block first atom: 3594
Blocpdb> 40 atoms in block 112
Block first atom: 3630
Blocpdb> 25 atoms in block 113
Block first atom: 3670
Blocpdb> 39 atoms in block 114
Block first atom: 3695
Blocpdb> 34 atoms in block 115
Block first atom: 3734
Blocpdb> 43 atoms in block 116
Block first atom: 3768
Blocpdb> 14 atoms in block 117
Block first atom: 3811
Blocpdb> 29 atoms in block 118
Block first atom: 3825
Blocpdb> 33 atoms in block 119
Block first atom: 3854
Blocpdb> 31 atoms in block 120
Block first atom: 3887
Blocpdb> 31 atoms in block 121
Block first atom: 3918
Blocpdb> 34 atoms in block 122
Block first atom: 3949
Blocpdb> 38 atoms in block 123
Block first atom: 3983
Blocpdb> 30 atoms in block 124
Block first atom: 4021
Blocpdb> 31 atoms in block 125
Block first atom: 4051
Blocpdb> 39 atoms in block 126
Block first atom: 4082
Blocpdb> 24 atoms in block 127
Block first atom: 4121
Blocpdb> 18 atoms in block 128
Block first atom: 4145
Blocpdb> 29 atoms in block 129
Block first atom: 4163
Blocpdb> 34 atoms in block 130
Block first atom: 4192
Blocpdb> 27 atoms in block 131
Block first atom: 4226
Blocpdb> 32 atoms in block 132
Block first atom: 4253
Blocpdb> 30 atoms in block 133
Block first atom: 4285
Blocpdb> 38 atoms in block 134
Block first atom: 4315
Blocpdb> 35 atoms in block 135
Block first atom: 4353
Blocpdb> 34 atoms in block 136
Block first atom: 4388
Blocpdb> 36 atoms in block 137
Block first atom: 4422
Blocpdb> 38 atoms in block 138
Block first atom: 4458
Blocpdb> 34 atoms in block 139
Block first atom: 4496
Blocpdb> 30 atoms in block 140
Block first atom: 4530
Blocpdb> 37 atoms in block 141
Block first atom: 4560
Blocpdb> 38 atoms in block 142
Block first atom: 4597
Blocpdb> 30 atoms in block 143
Block first atom: 4635
Blocpdb> 33 atoms in block 144
Block first atom: 4665
Blocpdb> 44 atoms in block 145
Block first atom: 4698
Blocpdb> 22 atoms in block 146
Block first atom: 4742
Blocpdb> 33 atoms in block 147
Block first atom: 4764
Blocpdb> 22 atoms in block 148
Block first atom: 4797
Blocpdb> 36 atoms in block 149
Block first atom: 4819
Blocpdb> 22 atoms in block 150
Block first atom: 4855
Blocpdb> 36 atoms in block 151
Block first atom: 4877
Blocpdb> 33 atoms in block 152
Block first atom: 4913
Blocpdb> 35 atoms in block 153
Block first atom: 4946
Blocpdb> 30 atoms in block 154
Block first atom: 4981
Blocpdb> 38 atoms in block 155
Block first atom: 5011
Blocpdb> 26 atoms in block 156
Block first atom: 5049
Blocpdb> 22 atoms in block 157
Block first atom: 5075
Blocpdb> 28 atoms in block 158
Block first atom: 5097
Blocpdb> 33 atoms in block 159
Block first atom: 5125
Blocpdb> 23 atoms in block 160
Block first atom: 5158
Blocpdb> 29 atoms in block 161
Block first atom: 5181
Blocpdb> 35 atoms in block 162
Block first atom: 5210
Blocpdb> 36 atoms in block 163
Block first atom: 5245
Blocpdb> 35 atoms in block 164
Block first atom: 5281
Blocpdb> 32 atoms in block 165
Block first atom: 5316
Blocpdb> 25 atoms in block 166
Block first atom: 5348
Blocpdb> 37 atoms in block 167
Block first atom: 5373
Blocpdb> 22 atoms in block 168
Block first atom: 5410
Blocpdb> 28 atoms in block 169
Block first atom: 5432
Blocpdb> 35 atoms in block 170
Block first atom: 5460
Blocpdb> 28 atoms in block 171
Block first atom: 5495
Blocpdb> 32 atoms in block 172
Block first atom: 5523
Blocpdb> 21 atoms in block 173
Block first atom: 5555
Blocpdb> 30 atoms in block 174
Block first atom: 5576
Blocpdb> 33 atoms in block 175
Block first atom: 5606
Blocpdb> 38 atoms in block 176
Block first atom: 5639
Blocpdb> 28 atoms in block 177
Block first atom: 5677
Blocpdb> 25 atoms in block 178
Block first atom: 5705
Blocpdb> 32 atoms in block 179
Block first atom: 5730
Blocpdb> 39 atoms in block 180
Block first atom: 5761
Blocpdb> 180 blocks.
Blocpdb> At most, 46 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> 4254706 matrix lines read.
Prepmat> Matrix order = 17400
Prepmat> Matrix trace = 9378780.0000
Prepmat> Last element read: 17400 17400 204.6503
Prepmat> 16291 lines saved.
Prepmat> 13954 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: 5800
RTB> Total mass = 5800.0000
RTB> Number of atoms found in matrix: 5800
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 490043.3129
RTB> 81396 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 = 1080
Diagstd> Nb of non-zero elements: 81396
Diagstd> Projected matrix trace = 490043.3129
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 490043.3129
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 2.6870232 3.3350262 5.2173397 8.3132718
8.7662493 11.1740192 11.9819956 12.9203603 14.3927132
15.5833731 16.1748694 16.8885725 19.9422777 20.3165992
21.4389407 22.3486985 23.5318975 24.0235221 26.1027149
28.0001367 28.5140314 31.1683012 31.7721694 33.1189371
34.9385126 36.3407376 39.8662337 40.9909938 41.6812445
42.6203229 44.1930725 46.0994430 47.1904473 49.0330893
49.7262985 50.9530911 52.8258335 53.2710838 55.6847623
56.1351961 58.7368126 59.6267567 60.1763226 61.4197711
63.5689794 64.5907827 65.6467357 67.2018314 67.4188209
69.1071895 70.0304119 71.9964354 73.3749458 74.0752862
74.9553709 77.4761344 79.4882824 79.6435904 80.9515918
82.7390845 84.6778157 85.4635480 87.6121326 87.9067032
91.2077302 92.0470882 92.6836803 94.1351986 95.0003628
96.3579140 97.2877621 97.3826112 97.9728635 98.6446488
101.0813531 101.8918297 103.8858080 105.0142478 105.8110174
106.2140893 107.8483226 109.1707864 109.8887469 110.6906369
111.6220728 112.8985242 113.1100342 114.8634193 115.5602499
116.5200216 118.9467495 119.7662139 120.4861305 122.0925514
123.5896112 124.2454822 125.0645160 126.6841787 127.0131809
129.0202745
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034289 0.0034329 0.0034336 0.0034343 0.0034373
0.0034399 178.0045022 198.3101340 248.0389234 313.0987044
321.5157035 362.9944515 375.8892087 390.3305934 411.9709725
428.6728852 436.7326605 446.2638946 484.9340285 489.4640363
502.8019369 513.3592581 526.7732997 532.2474880 554.8021309
574.6128791 579.8619235 606.2501325 612.0948356 624.9330242
641.8706037 654.6243399 685.6427439 695.2476090 701.0768377
708.9304783 721.8922485 737.2981080 745.9716574 760.3961488
765.7523647 775.1407135 789.2570311 792.5762356 810.3328877
813.6036766 832.2436078 838.5247268 842.3801073 851.0388323
865.8006343 872.7313037 879.8362432 890.1964021 891.6324312
902.7279638 908.7378567 921.4054517 930.1846684 934.6132835
940.1489361 955.8269078 968.1593338 969.1046901 977.0301749
987.7581824 999.2636826 1003.8891018 1016.4298391 1018.1371323
1037.0772424 1041.8382730 1045.4347107 1053.5891800 1058.4196943
1065.9552554 1071.0861093 1071.6081011 1074.8507927 1078.5295428
1091.7691131 1096.1373109 1106.8108075 1112.8058326 1117.0194248
1119.1449647 1127.7218046 1134.6149445 1138.3397224 1142.4855699
1147.2823749 1153.8235868 1154.9038977 1163.8208959 1167.3457766
1172.1833778 1184.3268339 1188.3994458 1191.9658386 1199.8856654
1207.2195592 1210.4185846 1214.4016080 1222.2399373 1223.8260031
1233.4577015
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5800
Rtb_to_modes> Number of blocs = 180
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: 9.9707E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0019E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0035E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.687
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.335
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.217
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.313
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.766
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 11.17
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 15.58
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.32
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 21.44
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 22.35
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 23.53
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 24.02
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 26.10
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 28.00
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 28.51
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 31.17
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 31.77
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 33.12
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 34.94
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 36.34
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 39.87
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 40.99
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.68
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 44.19
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 46.10
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 47.19
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 49.03
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 49.73
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 50.95
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 52.83
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 53.27
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 55.68
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 56.14
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 58.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 59.63
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 60.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 61.42
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 63.57
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 64.59
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 65.65
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 67.20
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 67.42
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 69.11
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 70.03
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 72.00
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 73.37
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 74.08
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 74.96
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 77.48
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 79.49
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 80.95
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 82.74
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 84.68
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 85.46
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 87.61
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 87.91
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 91.21
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 92.05
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 92.68
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 94.14
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 95.00
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 96.36
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 97.29
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 97.38
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 97.97
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 98.64
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 101.1
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 101.9
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 105.0
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 105.8
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 106.2
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 107.8
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 109.2
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 110.7
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 111.6
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 113.1
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 115.6
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 116.5
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 118.9
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 119.8
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 122.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 123.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 124.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 125.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 126.7
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 127.0
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 129.0
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00000 1.00001 0.99999
1.00000 0.99998 0.99998 0.99996 0.99999
0.99999 0.99999 1.00003 1.00000 0.99998
1.00003 1.00000 1.00000 0.99997 1.00002
1.00004 0.99999 0.99999 0.99999 1.00003
1.00002 0.99996 1.00000 1.00002 1.00002
0.99996 0.99998 1.00001 0.99999 0.99998
1.00001 1.00002 0.99999 1.00002 1.00002
0.99999 0.99998 0.99999 0.99999 1.00000
0.99999 1.00000 1.00003 0.99999 1.00001
1.00002 0.99999 0.99997 1.00001 1.00002
1.00001 1.00000 1.00000 0.99997 1.00001
1.00000 1.00000 0.99999 0.99999 1.00001
1.00001 1.00000 0.99995 1.00000 1.00001
1.00001 0.99998 0.99998 1.00002 0.99999
0.99998 1.00001 1.00001 1.00000 1.00004
1.00000 0.99998 1.00001 1.00001 1.00000
1.00001 1.00000 1.00001 1.00002 1.00001
1.00003 1.00002 1.00001 0.99998 0.99998
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00005 1.00002 1.00002 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 104400 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00000 1.00001 0.99999
1.00000 0.99998 0.99998 0.99996 0.99999
0.99999 0.99999 1.00003 1.00000 0.99998
1.00003 1.00000 1.00000 0.99997 1.00002
1.00004 0.99999 0.99999 0.99999 1.00003
1.00002 0.99996 1.00000 1.00002 1.00002
0.99996 0.99998 1.00001 0.99999 0.99998
1.00001 1.00002 0.99999 1.00002 1.00002
0.99999 0.99998 0.99999 0.99999 1.00000
0.99999 1.00000 1.00003 0.99999 1.00001
1.00002 0.99999 0.99997 1.00001 1.00002
1.00001 1.00000 1.00000 0.99997 1.00001
1.00000 1.00000 0.99999 0.99999 1.00001
1.00001 1.00000 0.99995 1.00000 1.00001
1.00001 0.99998 0.99998 1.00002 0.99999
0.99998 1.00001 1.00001 1.00000 1.00004
1.00000 0.99998 1.00001 1.00001 1.00000
1.00001 1.00000 1.00001 1.00002 1.00001
1.00003 1.00002 1.00001 0.99998 0.99998
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00005 1.00002 1.00002 1.00002
0.99998
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> 2401161743351318745.eigenfacs
Openam> file on opening on unit 10:
2401161743351318745.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401161743351318745.atom
Openam> file on opening on unit 11:
2401161743351318745.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 = 360
First residue number = 1
Last residue number = 360
Number of atoms found = 5800
Mean number per residue = 16.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9707E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 21.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 22.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 23.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 24.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 26.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 28.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 28.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 31.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 31.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 33.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 34.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 36.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 39.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 40.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 44.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 46.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 47.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 49.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 49.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 50.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 52.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 53.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 55.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 56.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 58.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 59.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 60.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 61.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 63.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 64.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 65.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 67.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 67.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 69.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 70.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 72.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 73.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 74.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 74.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 77.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 79.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 80.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 82.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 84.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 85.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 87.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 87.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 91.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 92.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 92.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 94.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 95.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 96.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 97.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 97.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 97.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 98.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 101.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 101.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 105.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 105.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 107.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 109.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 110.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 111.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 113.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 116.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 118.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 119.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 122.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 123.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 124.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 125.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 126.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 127.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Bfactors> 106 vectors, 17400 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 : 2.687000
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= -0.615 for 360 C-alpha atoms.
Bfactors> = 0.007 +/- 0.01
Bfactors> = 90.814 +/- 11.09
Bfactors> Shiftng-fct= 90.807
Bfactors> Scaling-fct= 1088.967
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401161743351318745 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=0
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=100
2401161743351318745.eigenfacs
2401161743351318745.atom
making animated gifs
11 models are in 2401161743351318745.7.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 2401161743351318745.7.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 2401161743351318745.7.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 2401161743351318745 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=0
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=100
2401161743351318745.eigenfacs
2401161743351318745.atom
making animated gifs
11 models are in 2401161743351318745.8.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 2401161743351318745.8.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 2401161743351318745.8.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 2401161743351318745 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=0
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=100
2401161743351318745.eigenfacs
2401161743351318745.atom
making animated gifs
11 models are in 2401161743351318745.9.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 2401161743351318745.9.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 2401161743351318745.9.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 2401161743351318745 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=0
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=100
2401161743351318745.eigenfacs
2401161743351318745.atom
making animated gifs
11 models are in 2401161743351318745.10.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 2401161743351318745.10.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 2401161743351318745.10.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 2401161743351318745 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=-20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=0
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=20
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=40
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=60
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=80
2401161743351318745.eigenfacs
2401161743351318745.atom
calculating perturbed structure for DQ=100
2401161743351318745.eigenfacs
2401161743351318745.atom
making animated gifs
11 models are in 2401161743351318745.11.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 2401161743351318745.11.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 2401161743351318745.11.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
2401161743351318745.10.pdb
2401161743351318745.11.pdb
2401161743351318745.7.pdb
2401161743351318745.8.pdb
2401161743351318745.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.095s
user 0m28.943s
sys 0m0.152s
../../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: 2401161743351318745.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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