*** MLR ***
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 = 2402090300251998370.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 2402090300251998370.atom to be opened.
Openam> File opened: 2402090300251998370.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 = 198
First residue number = 1
Last residue number = 99
Number of atoms found = 1565
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 20.196567 +/- 13.285376 From: -7.020000 To: 47.070000
= 27.767459 +/- 7.197650 From: 10.313000 To: 45.753000
= 18.435918 +/- 8.051738 From: -1.947000 To: 37.380000
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 5.2924 % Filled.
Pdbmat> 583425 non-zero elements.
Pdbmat> 63790 atom-atom interactions.
Pdbmat> Number per atom= 81.52 +/- 22.18
Maximum number = 128
Minimum number = 16
Pdbmat> Matrix trace = 1.275800E+06
Pdbmat> Larger element = 493.040
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
198 non-zero elements, NRBL set to 1
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 = 2402090300251998370.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2402090300251998370.atom to be opened.
Openam> file on opening on unit 11:
2402090300251998370.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1565 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 198 residues.
Blocpdb> 7 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 8
Blocpdb> 8 atoms in block 3
Block first atom: 17
Blocpdb> 7 atoms in block 4
Block first atom: 25
Blocpdb> 8 atoms in block 5
Block first atom: 32
Blocpdb> 14 atoms in block 6
Block first atom: 40
Blocpdb> 5 atoms in block 7
Block first atom: 54
Blocpdb> 11 atoms in block 8
Block first atom: 59
Blocpdb> 7 atoms in block 9
Block first atom: 70
Blocpdb> 8 atoms in block 10
Block first atom: 77
Blocpdb> 7 atoms in block 11
Block first atom: 85
Blocpdb> 7 atoms in block 12
Block first atom: 92
Blocpdb> 8 atoms in block 13
Block first atom: 99
Blocpdb> 11 atoms in block 14
Block first atom: 107
Blocpdb> 8 atoms in block 15
Block first atom: 118
Blocpdb> 4 atoms in block 16
Block first atom: 126
Blocpdb> 4 atoms in block 17
Block first atom: 130
Blocpdb> 9 atoms in block 18
Block first atom: 134
Blocpdb> 16 atoms in block 19
Block first atom: 143
Blocpdb> 9 atoms in block 20
Block first atom: 159
Blocpdb> 18 atoms in block 21
Block first atom: 168
Blocpdb> 5 atoms in block 22
Block first atom: 186
Blocpdb> 8 atoms in block 23
Block first atom: 191
Blocpdb> 8 atoms in block 24
Block first atom: 199
Blocpdb> 8 atoms in block 25
Block first atom: 207
Blocpdb> 7 atoms in block 26
Block first atom: 215
Blocpdb> 4 atoms in block 27
Block first atom: 222
Blocpdb> 5 atoms in block 28
Block first atom: 226
Blocpdb> 8 atoms in block 29
Block first atom: 231
Blocpdb> 8 atoms in block 30
Block first atom: 239
Blocpdb> 7 atoms in block 31
Block first atom: 247
Blocpdb> 7 atoms in block 32
Block first atom: 254
Blocpdb> 8 atoms in block 33
Block first atom: 261
Blocpdb> 9 atoms in block 34
Block first atom: 269
Blocpdb> 9 atoms in block 35
Block first atom: 278
Blocpdb> 8 atoms in block 36
Block first atom: 287
Blocpdb> 8 atoms in block 37
Block first atom: 295
Blocpdb> 8 atoms in block 38
Block first atom: 303
Blocpdb> 7 atoms in block 39
Block first atom: 311
Blocpdb> 4 atoms in block 40
Block first atom: 318
Blocpdb> 5 atoms in block 41
Block first atom: 322
Blocpdb> 14 atoms in block 42
Block first atom: 327
Blocpdb> 5 atoms in block 43
Block first atom: 341
Blocpdb> 7 atoms in block 44
Block first atom: 346
Blocpdb> 9 atoms in block 45
Block first atom: 353
Blocpdb> 8 atoms in block 46
Block first atom: 362
Blocpdb> 16 atoms in block 47
Block first atom: 370
Blocpdb> 4 atoms in block 48
Block first atom: 386
Blocpdb> 4 atoms in block 49
Block first atom: 390
Blocpdb> 8 atoms in block 50
Block first atom: 394
Blocpdb> 4 atoms in block 51
Block first atom: 402
Blocpdb> 4 atoms in block 52
Block first atom: 406
Blocpdb> 11 atoms in block 53
Block first atom: 410
Blocpdb> 8 atoms in block 54
Block first atom: 421
Blocpdb> 9 atoms in block 55
Block first atom: 429
Blocpdb> 7 atoms in block 56
Block first atom: 438
Blocpdb> 11 atoms in block 57
Block first atom: 445
Blocpdb> 9 atoms in block 58
Block first atom: 456
Blocpdb> 12 atoms in block 59
Block first atom: 465
Blocpdb> 8 atoms in block 60
Block first atom: 477
Blocpdb> 9 atoms in block 61
Block first atom: 485
Blocpdb> 8 atoms in block 62
Block first atom: 494
Blocpdb> 7 atoms in block 63
Block first atom: 502
Blocpdb> 7 atoms in block 64
Block first atom: 509
Blocpdb> 9 atoms in block 65
Block first atom: 516
Blocpdb> 8 atoms in block 66
Block first atom: 525
Blocpdb> 6 atoms in block 67
Block first atom: 533
Blocpdb> 4 atoms in block 68
Block first atom: 539
Blocpdb> 10 atoms in block 69
Block first atom: 543
Blocpdb> 9 atoms in block 70
Block first atom: 553
Blocpdb> 5 atoms in block 71
Block first atom: 562
Blocpdb> 8 atoms in block 72
Block first atom: 567
Blocpdb> 4 atoms in block 73
Block first atom: 575
Blocpdb> 7 atoms in block 74
Block first atom: 579
Blocpdb> 7 atoms in block 75
Block first atom: 586
Blocpdb> 8 atoms in block 76
Block first atom: 593
Blocpdb> 7 atoms in block 77
Block first atom: 601
Blocpdb> 4 atoms in block 78
Block first atom: 608
Blocpdb> 7 atoms in block 79
Block first atom: 612
Blocpdb> 7 atoms in block 80
Block first atom: 619
Blocpdb> 7 atoms in block 81
Block first atom: 626
Blocpdb> 14 atoms in block 82
Block first atom: 633
Blocpdb> 8 atoms in block 83
Block first atom: 647
Blocpdb> 8 atoms in block 84
Block first atom: 655
Blocpdb> 8 atoms in block 85
Block first atom: 663
Blocpdb> 4 atoms in block 86
Block first atom: 671
Blocpdb> 11 atoms in block 87
Block first atom: 675
Blocpdb> 8 atoms in block 88
Block first atom: 686
Blocpdb> 8 atoms in block 89
Block first atom: 694
Blocpdb> 8 atoms in block 90
Block first atom: 702
Blocpdb> 7 atoms in block 91
Block first atom: 710
Blocpdb> 9 atoms in block 92
Block first atom: 717
Blocpdb> 8 atoms in block 93
Block first atom: 726
Blocpdb> 4 atoms in block 94
Block first atom: 734
Blocpdb> 12 atoms in block 95
Block first atom: 738
Blocpdb> 7 atoms in block 96
Block first atom: 750
Blocpdb> 8 atoms in block 97
Block first atom: 757
Blocpdb> 8 atoms in block 98
Block first atom: 765
Blocpdb> 12 atoms in block 99
Block first atom: 773
Blocpdb> 7 atoms in block 100
Block first atom: 785
Blocpdb> 9 atoms in block 101
Block first atom: 792
Blocpdb> 8 atoms in block 102
Block first atom: 801
Blocpdb> 7 atoms in block 103
Block first atom: 809
Blocpdb> 8 atoms in block 104
Block first atom: 816
Blocpdb> 14 atoms in block 105
Block first atom: 824
Blocpdb> 9 atoms in block 106
Block first atom: 838
Blocpdb> 11 atoms in block 107
Block first atom: 847
Blocpdb> 7 atoms in block 108
Block first atom: 858
Blocpdb> 8 atoms in block 109
Block first atom: 865
Blocpdb> 7 atoms in block 110
Block first atom: 873
Blocpdb> 7 atoms in block 111
Block first atom: 880
Blocpdb> 8 atoms in block 112
Block first atom: 887
Blocpdb> 11 atoms in block 113
Block first atom: 895
Blocpdb> 8 atoms in block 114
Block first atom: 906
Blocpdb> 4 atoms in block 115
Block first atom: 914
Blocpdb> 4 atoms in block 116
Block first atom: 918
Blocpdb> 9 atoms in block 117
Block first atom: 922
Blocpdb> 8 atoms in block 118
Block first atom: 931
Blocpdb> 9 atoms in block 119
Block first atom: 939
Blocpdb> 9 atoms in block 120
Block first atom: 948
Blocpdb> 5 atoms in block 121
Block first atom: 957
Blocpdb> 8 atoms in block 122
Block first atom: 962
Blocpdb> 8 atoms in block 123
Block first atom: 970
Blocpdb> 8 atoms in block 124
Block first atom: 978
Blocpdb> 7 atoms in block 125
Block first atom: 986
Blocpdb> 4 atoms in block 126
Block first atom: 993
Blocpdb> 5 atoms in block 127
Block first atom: 997
Blocpdb> 8 atoms in block 128
Block first atom: 1002
Blocpdb> 8 atoms in block 129
Block first atom: 1010
Blocpdb> 7 atoms in block 130
Block first atom: 1018
Blocpdb> 14 atoms in block 131
Block first atom: 1025
Blocpdb> 8 atoms in block 132
Block first atom: 1039
Blocpdb> 9 atoms in block 133
Block first atom: 1047
Blocpdb> 9 atoms in block 134
Block first atom: 1056
Blocpdb> 8 atoms in block 135
Block first atom: 1065
Blocpdb> 8 atoms in block 136
Block first atom: 1073
Blocpdb> 8 atoms in block 137
Block first atom: 1081
Blocpdb> 7 atoms in block 138
Block first atom: 1089
Blocpdb> 4 atoms in block 139
Block first atom: 1096
Blocpdb> 5 atoms in block 140
Block first atom: 1100
Blocpdb> 14 atoms in block 141
Block first atom: 1105
Blocpdb> 5 atoms in block 142
Block first atom: 1119
Blocpdb> 7 atoms in block 143
Block first atom: 1124
Blocpdb> 9 atoms in block 144
Block first atom: 1131
Blocpdb> 16 atoms in block 145
Block first atom: 1140
Blocpdb> 8 atoms in block 146
Block first atom: 1156
Blocpdb> 4 atoms in block 147
Block first atom: 1164
Blocpdb> 4 atoms in block 148
Block first atom: 1168
Blocpdb> 8 atoms in block 149
Block first atom: 1172
Blocpdb> 4 atoms in block 150
Block first atom: 1180
Blocpdb> 4 atoms in block 151
Block first atom: 1184
Blocpdb> 11 atoms in block 152
Block first atom: 1188
Blocpdb> 8 atoms in block 153
Block first atom: 1199
Blocpdb> 9 atoms in block 154
Block first atom: 1207
Blocpdb> 7 atoms in block 155
Block first atom: 1216
Blocpdb> 11 atoms in block 156
Block first atom: 1223
Blocpdb> 9 atoms in block 157
Block first atom: 1234
Blocpdb> 12 atoms in block 158
Block first atom: 1243
Blocpdb> 8 atoms in block 159
Block first atom: 1255
Blocpdb> 9 atoms in block 160
Block first atom: 1263
Blocpdb> 8 atoms in block 161
Block first atom: 1272
Blocpdb> 7 atoms in block 162
Block first atom: 1280
Blocpdb> 7 atoms in block 163
Block first atom: 1287
Blocpdb> 18 atoms in block 164
Block first atom: 1294
Blocpdb> 8 atoms in block 165
Block first atom: 1312
Blocpdb> 6 atoms in block 166
Block first atom: 1320
Blocpdb> 4 atoms in block 167
Block first atom: 1326
Blocpdb> 10 atoms in block 168
Block first atom: 1330
Blocpdb> 9 atoms in block 169
Block first atom: 1340
Blocpdb> 5 atoms in block 170
Block first atom: 1349
Blocpdb> 8 atoms in block 171
Block first atom: 1354
Blocpdb> 4 atoms in block 172
Block first atom: 1362
Blocpdb> 7 atoms in block 173
Block first atom: 1366
Blocpdb> 7 atoms in block 174
Block first atom: 1373
Blocpdb> 8 atoms in block 175
Block first atom: 1380
Blocpdb> 7 atoms in block 176
Block first atom: 1388
Blocpdb> 4 atoms in block 177
Block first atom: 1395
Blocpdb> 7 atoms in block 178
Block first atom: 1399
Blocpdb> 7 atoms in block 179
Block first atom: 1406
Blocpdb> 7 atoms in block 180
Block first atom: 1413
Blocpdb> 14 atoms in block 181
Block first atom: 1420
Blocpdb> 8 atoms in block 182
Block first atom: 1434
Blocpdb> 8 atoms in block 183
Block first atom: 1442
Blocpdb> 8 atoms in block 184
Block first atom: 1450
Blocpdb> 4 atoms in block 185
Block first atom: 1458
Blocpdb> 11 atoms in block 186
Block first atom: 1462
Blocpdb> 8 atoms in block 187
Block first atom: 1473
Blocpdb> 8 atoms in block 188
Block first atom: 1481
Blocpdb> 8 atoms in block 189
Block first atom: 1489
Blocpdb> 7 atoms in block 190
Block first atom: 1497
Blocpdb> 9 atoms in block 191
Block first atom: 1504
Blocpdb> 8 atoms in block 192
Block first atom: 1513
Blocpdb> 4 atoms in block 193
Block first atom: 1521
Blocpdb> 6 atoms in block 194
Block first atom: 1525
Blocpdb> 7 atoms in block 195
Block first atom: 1531
Blocpdb> 8 atoms in block 196
Block first atom: 1538
Blocpdb> 8 atoms in block 197
Block first atom: 1546
Blocpdb> 12 atoms in block 198
Block first atom: 1553
Blocpdb> 198 blocks.
Blocpdb> At most, 18 atoms in each of them.
Blocpdb> At least, 4 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> 583623 matrix lines read.
Prepmat> Matrix order = 4695
Prepmat> Matrix trace = 1275800.0000
Prepmat> Last element read: 4695 4695 279.7013
Prepmat> 19702 lines saved.
Prepmat> 17168 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: 1565
RTB> Total mass = 1565.0000
RTB> Number of atoms found in matrix: 1565
RTB> Number of blocks = 198
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 299825.6226
RTB> 88207 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 = 1188
Diagstd> Nb of non-zero elements: 88207
Diagstd> Projected matrix trace = 299825.6226
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1188 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 299825.6226
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 3.1337242 3.3972909 5.9634873 7.7432945
9.7103736 10.3260507 12.3273491 12.8644490 14.8298140
17.1538436 18.2432288 19.7488247 20.2719222 21.1863610
22.6041259 23.6237971 24.4630031 24.9907268 25.9671353
26.5919674 27.2619075 28.5177832 30.4058019 31.0652984
32.0817296 32.9254961 33.6777124 34.4734150 35.2857736
36.0211030 37.4783893 38.0634288 38.3840936 40.0181142
40.6107504 40.7434052 41.3997509 42.4660665 43.1301435
43.2972303 44.3135974 44.7529663 45.2854600 46.0419180
46.6609741 47.6085300 48.1799118 48.7067264 49.9381369
50.8317146 51.6139180 52.4671895 53.4951958 53.7137123
54.3558994 55.1622640 55.8585590 56.6866589 56.9350050
57.9903087 58.3652968 58.7771670 60.3727876 60.5743872
61.5664554 62.2255857 62.6637299 63.4953132 64.7266297
64.8991022 65.7845322 68.2627955 68.3760329 68.8763774
69.9972528 70.5535098 71.9098098 72.2958867 73.3501719
74.4643641 74.6038023 75.7350700 76.3464954 76.7095076
77.8311283 78.1678310 78.4402558 79.1162845 79.4748717
79.8304904 80.9441562 81.9435202 82.6302566 82.8229318
83.9541050 84.8426544 85.3612360 85.8629924 86.3688156
87.4445142
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034325 0.0034336 0.0034349 0.0034350 0.0034355
0.0034369 192.2319914 200.1527885 265.1828465 302.1747477
338.3866718 348.9493601 381.2677990 389.4851247 418.1798786
449.7550037 463.8164343 482.5762098 488.9255638 499.8313178
516.2845623 527.8009074 537.0938328 542.8561014 553.3594117
559.9774194 566.9873906 579.9000712 598.7885826 605.2475573
615.0694651 623.1052982 630.1828389 637.5840353 645.0525580
651.7391110 664.7919306 669.9605559 672.7766731 686.9475674
692.0154450 693.1447559 698.7054718 707.6463939 713.1579563
714.5380133 722.8759631 726.4507783 730.7598398 736.8379470
741.7749804 749.2688300 753.7516585 757.8613356 767.3817177
774.2169226 780.1510439 786.5732647 794.2416745 795.8621754
800.6055998 806.5221912 811.5964600 817.5902626 819.3792503
826.9380783 829.6074232 832.5294495 843.7540976 845.1616747
852.0544626 856.6033664 859.6138439 865.2988276 873.6485839
874.8117842 880.7591745 897.1959720 897.9398182 901.2191861
908.5226896 912.1254887 920.8509707 923.3196424 930.0276239
937.0645808 937.9415205 945.0260843 948.8331147 951.0861946
958.0141938 960.0841743 961.7557265 965.8912281 968.0776599
970.2411249 976.9853026 982.9978966 987.1083624 988.2585498
994.9843465 1000.2358220 1003.2880229 1006.2323841 1009.1919144
1015.4570634
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1565
Rtb_to_modes> Number of blocs = 198
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: 9.9917E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0017E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.134
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.397
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.963
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.743
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.710
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.33
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 12.33
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.86
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.83
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 17.15
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 18.24
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 19.75
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 20.27
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 21.19
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 22.60
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.46
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 26.59
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 28.52
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.41
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 31.07
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 32.08
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 32.93
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 34.47
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 35.29
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 36.02
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.48
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 38.06
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 40.02
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 40.61
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 40.74
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.40
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 42.47
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 43.13
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 43.30
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 44.31
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 44.75
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 45.29
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 46.66
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 47.61
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 48.18
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 48.71
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 49.94
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 50.83
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 51.61
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 52.47
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 53.50
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 53.71
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 54.36
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 55.16
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 55.86
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 56.69
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 56.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 57.99
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 58.37
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 58.78
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 60.37
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 60.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 61.57
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 62.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 62.66
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 63.50
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 64.73
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 64.90
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 65.78
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 68.26
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 68.38
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 68.88
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 70.00
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 70.55
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 71.91
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 72.30
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 73.35
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 74.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 74.60
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 75.74
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 76.35
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 76.71
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 77.83
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 78.17
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 78.44
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 79.12
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 79.47
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 79.83
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 80.94
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 81.94
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 82.63
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 82.82
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 83.95
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 84.84
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 85.36
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 85.86
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 86.37
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 87.44
Rtb_to_modes> 106 vectors, with 1188 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99999 1.00003 1.00001
1.00000 0.99997 1.00001 1.00000 0.99999
1.00000 0.99998 0.99999 0.99999 1.00002
1.00003 0.99998 1.00000 0.99998 1.00001
1.00000 1.00002 1.00000 1.00001 0.99997
0.99998 0.99997 0.99998 1.00000 0.99999
1.00001 1.00001 1.00000 1.00002 1.00002
0.99998 1.00000 0.99999 1.00000 1.00000
1.00000 0.99998 0.99998 0.99997 1.00001
0.99996 0.99999 1.00002 1.00002 1.00000
1.00002 0.99999 0.99998 1.00002 1.00000
0.99999 1.00000 1.00001 1.00000 1.00002
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 0.99999 1.00000 1.00002 0.99999
1.00001 1.00000 1.00002 1.00003 0.99997
1.00001 0.99999 1.00001 1.00000 0.99999
1.00002 0.99998 1.00000 0.99998 1.00002
0.99999 1.00001 0.99996 0.99999 1.00001
0.99999 1.00001 0.99999 0.99998 0.99999
0.99998 1.00000 1.00000 1.00002 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 28170 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99999 1.00003 1.00001
1.00000 0.99997 1.00001 1.00000 0.99999
1.00000 0.99998 0.99999 0.99999 1.00002
1.00003 0.99998 1.00000 0.99998 1.00001
1.00000 1.00002 1.00000 1.00001 0.99997
0.99998 0.99997 0.99998 1.00000 0.99999
1.00001 1.00001 1.00000 1.00002 1.00002
0.99998 1.00000 0.99999 1.00000 1.00000
1.00000 0.99998 0.99998 0.99997 1.00001
0.99996 0.99999 1.00002 1.00002 1.00000
1.00002 0.99999 0.99998 1.00002 1.00000
0.99999 1.00000 1.00001 1.00000 1.00002
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 0.99999 1.00000 1.00002 0.99999
1.00001 1.00000 1.00002 1.00003 0.99997
1.00001 0.99999 1.00001 1.00000 0.99999
1.00002 0.99998 1.00000 0.99998 1.00002
0.99999 1.00001 0.99996 0.99999 1.00001
0.99999 1.00001 0.99999 0.99998 0.99999
0.99998 1.00000 1.00000 1.00002 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000 0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000-0.000 0.000-0.000-0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000-0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Vector 10:-0.000 0.000 0.000 0.000-0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402090300251998370.eigenfacs
Openam> file on opening on unit 10:
2402090300251998370.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402090300251998370.atom
Openam> file on opening on unit 11:
2402090300251998370.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 = 198
First residue number = 1
Last residue number = 99
Number of atoms found = 1565
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9917E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-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: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 17.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 19.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 21.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 22.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 26.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 28.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 31.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 32.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 32.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 34.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 35.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 36.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 38.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 40.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 40.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 40.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 42.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 43.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 43.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 44.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 44.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 45.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 46.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 47.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 48.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 48.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 49.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 50.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 51.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 52.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 53.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 53.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 54.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 55.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 55.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 56.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 56.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 57.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 58.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 58.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 60.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 60.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 61.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 62.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 62.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 63.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 64.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 64.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 65.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 68.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 68.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 68.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 70.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 70.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 71.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 72.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 73.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 74.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 74.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 75.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 76.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 76.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 77.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 78.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 78.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 79.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 79.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 79.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 80.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 81.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 82.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 82.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 83.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 84.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 85.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 85.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 86.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 87.44
Bfactors> 106 vectors, 4695 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 : 3.134000
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= 0.568 for 207 C-alpha atoms.
Bfactors> = 0.028 +/- 0.02
Bfactors> = 15.150 +/- 4.49
Bfactors> Shiftng-fct= 15.122
Bfactors> Scaling-fct= 189.283
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402090300251998370 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.7.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 2402090300251998370.7.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 2402090300251998370.7.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 2402090300251998370 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.8.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 2402090300251998370.8.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 2402090300251998370.8.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 2402090300251998370 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.9.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 2402090300251998370.9.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 2402090300251998370.9.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 2402090300251998370 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.10.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 2402090300251998370.10.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 2402090300251998370.10.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 2402090300251998370 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.11.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 2402090300251998370.11.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 2402090300251998370.11.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
getting mode 12
running: ../../bin/get_modes.sh 2402090300251998370 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.12.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 2402090300251998370.12.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 2402090300251998370.12.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 13
running: ../../bin/get_modes.sh 2402090300251998370 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.13.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 2402090300251998370.13.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 2402090300251998370.13.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 14
running: ../../bin/get_modes.sh 2402090300251998370 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.14.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 2402090300251998370.14.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 2402090300251998370.14.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 15
running: ../../bin/get_modes.sh 2402090300251998370 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.15.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 2402090300251998370.15.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 2402090300251998370.15.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 16
running: ../../bin/get_modes.sh 2402090300251998370 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.16.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 2402090300251998370.16.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 2402090300251998370.16.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 17
running: ../../bin/get_modes.sh 2402090300251998370 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.17.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 2402090300251998370.17.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 2402090300251998370.17.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 18
running: ../../bin/get_modes.sh 2402090300251998370 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.18.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 2402090300251998370.18.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 2402090300251998370.18.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 19
running: ../../bin/get_modes.sh 2402090300251998370 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.19.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 2402090300251998370.19.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 2402090300251998370.19.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 20
running: ../../bin/get_modes.sh 2402090300251998370 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.20.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 2402090300251998370.20.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 2402090300251998370.20.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 21
running: ../../bin/get_modes.sh 2402090300251998370 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.21.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 2402090300251998370.21.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 2402090300251998370.21.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 22
running: ../../bin/get_modes.sh 2402090300251998370 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.22.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 2402090300251998370.22.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 2402090300251998370.22.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 23
running: ../../bin/get_modes.sh 2402090300251998370 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.23.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 2402090300251998370.23.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 2402090300251998370.23.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 24
running: ../../bin/get_modes.sh 2402090300251998370 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.24.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 2402090300251998370.24.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 2402090300251998370.24.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 25
running: ../../bin/get_modes.sh 2402090300251998370 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.25.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 2402090300251998370.25.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 2402090300251998370.25.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 26
running: ../../bin/get_modes.sh 2402090300251998370 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.26.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 2402090300251998370.26.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 2402090300251998370.26.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 27
running: ../../bin/get_modes.sh 2402090300251998370 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.27.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 2402090300251998370.27.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 2402090300251998370.27.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 28
running: ../../bin/get_modes.sh 2402090300251998370 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.28.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 2402090300251998370.28.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 2402090300251998370.28.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 29
running: ../../bin/get_modes.sh 2402090300251998370 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.29.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 2402090300251998370.29.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 2402090300251998370.29.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 30
running: ../../bin/get_modes.sh 2402090300251998370 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.30.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 2402090300251998370.30.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 2402090300251998370.30.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 31
running: ../../bin/get_modes.sh 2402090300251998370 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=-20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=0
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=20
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=40
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=60
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=80
2402090300251998370.eigenfacs
2402090300251998370.atom
calculating perturbed structure for DQ=100
2402090300251998370.eigenfacs
2402090300251998370.atom
making animated gifs
11 models are in 2402090300251998370.31.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 2402090300251998370.31.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 2402090300251998370.31.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
2402090300251998370.10.pdb
2402090300251998370.11.pdb
2402090300251998370.12.pdb
2402090300251998370.13.pdb
2402090300251998370.14.pdb
2402090300251998370.15.pdb
2402090300251998370.16.pdb
2402090300251998370.17.pdb
2402090300251998370.18.pdb
2402090300251998370.19.pdb
2402090300251998370.20.pdb
2402090300251998370.21.pdb
2402090300251998370.22.pdb
2402090300251998370.23.pdb
2402090300251998370.24.pdb
2402090300251998370.25.pdb
2402090300251998370.26.pdb
2402090300251998370.27.pdb
2402090300251998370.28.pdb
2402090300251998370.29.pdb
2402090300251998370.30.pdb
2402090300251998370.31.pdb
2402090300251998370.7.pdb
2402090300251998370.8.pdb
2402090300251998370.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.443s
user 0m22.426s
sys 0m0.016s
../../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: 2402090300251998370.Chkmod.res: No such file or directory
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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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