*** SIGNALING PROTEIN 01-APR-11 3AXC ***
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 = 240110220248539074.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 240110220248539074.atom to be opened.
Openam> File opened: 240110220248539074.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 = 149
First residue number = 1
Last residue number = 149
Number of atoms found = 1183
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -3.336394 +/- 8.137966 From: -21.132000 To: 16.189000
= 9.447055 +/- 11.185281 From: -13.377000 To: 33.405000
= -9.271855 +/- 11.196622 From: -31.961000 To: 14.759000
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 6.3008 % Filled.
Pdbmat> 396918 non-zero elements.
Pdbmat> 43320 atom-atom interactions.
Pdbmat> Number per atom= 73.24 +/- 20.39
Maximum number = 118
Minimum number = 18
Pdbmat> Matrix trace = 866400.
Pdbmat> Larger element = 474.620
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
149 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 = 240110220248539074.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 240110220248539074.atom to be opened.
Openam> file on opening on unit 11:
240110220248539074.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1183 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> 149 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 9
Blocpdb> 8 atoms in block 3
Block first atom: 18
Blocpdb> 11 atoms in block 4
Block first atom: 26
Blocpdb> 7 atoms in block 5
Block first atom: 37
Blocpdb> 9 atoms in block 6
Block first atom: 44
Blocpdb> 7 atoms in block 7
Block first atom: 53
Blocpdb> 8 atoms in block 8
Block first atom: 60
Blocpdb> 7 atoms in block 9
Block first atom: 68
Blocpdb> 4 atoms in block 10
Block first atom: 75
Blocpdb> 9 atoms in block 11
Block first atom: 79
Blocpdb> 7 atoms in block 12
Block first atom: 88
Blocpdb> 8 atoms in block 13
Block first atom: 95
Blocpdb> 7 atoms in block 14
Block first atom: 103
Blocpdb> 8 atoms in block 15
Block first atom: 110
Blocpdb> 9 atoms in block 16
Block first atom: 118
Blocpdb> 7 atoms in block 17
Block first atom: 127
Blocpdb> 9 atoms in block 18
Block first atom: 134
Blocpdb> 7 atoms in block 19
Block first atom: 143
Blocpdb> 6 atoms in block 20
Block first atom: 150
Blocpdb> 8 atoms in block 21
Block first atom: 156
Blocpdb> 7 atoms in block 22
Block first atom: 164
Blocpdb> 8 atoms in block 23
Block first atom: 171
Blocpdb> 9 atoms in block 24
Block first atom: 179
Blocpdb> 8 atoms in block 25
Block first atom: 188
Blocpdb> 7 atoms in block 26
Block first atom: 196
Blocpdb> 9 atoms in block 27
Block first atom: 203
Blocpdb> 5 atoms in block 28
Block first atom: 212
Blocpdb> 9 atoms in block 29
Block first atom: 217
Blocpdb> 8 atoms in block 30
Block first atom: 226
Blocpdb> 9 atoms in block 31
Block first atom: 234
Blocpdb> 8 atoms in block 32
Block first atom: 243
Blocpdb> 9 atoms in block 33
Block first atom: 251
Blocpdb> 9 atoms in block 34
Block first atom: 260
Blocpdb> 4 atoms in block 35
Block first atom: 269
Blocpdb> 8 atoms in block 36
Block first atom: 273
Blocpdb> 7 atoms in block 37
Block first atom: 281
Blocpdb> 7 atoms in block 38
Block first atom: 288
Blocpdb> 8 atoms in block 39
Block first atom: 295
Blocpdb> 9 atoms in block 40
Block first atom: 303
Blocpdb> 9 atoms in block 41
Block first atom: 312
Blocpdb> 11 atoms in block 42
Block first atom: 321
Blocpdb> 8 atoms in block 43
Block first atom: 332
Blocpdb> 8 atoms in block 44
Block first atom: 340
Blocpdb> 11 atoms in block 45
Block first atom: 348
Blocpdb> 5 atoms in block 46
Block first atom: 359
Blocpdb> 4 atoms in block 47
Block first atom: 364
Blocpdb> 9 atoms in block 48
Block first atom: 368
Blocpdb> 9 atoms in block 49
Block first atom: 377
Blocpdb> 8 atoms in block 50
Block first atom: 386
Blocpdb> 9 atoms in block 51
Block first atom: 394
Blocpdb> 8 atoms in block 52
Block first atom: 403
Blocpdb> 4 atoms in block 53
Block first atom: 411
Blocpdb> 11 atoms in block 54
Block first atom: 415
Blocpdb> 7 atoms in block 55
Block first atom: 426
Blocpdb> 8 atoms in block 56
Block first atom: 433
Blocpdb> 6 atoms in block 57
Block first atom: 441
Blocpdb> 8 atoms in block 58
Block first atom: 447
Blocpdb> 12 atoms in block 59
Block first atom: 455
Blocpdb> 8 atoms in block 60
Block first atom: 467
Blocpdb> 8 atoms in block 61
Block first atom: 475
Blocpdb> 9 atoms in block 62
Block first atom: 483
Blocpdb> 9 atoms in block 63
Block first atom: 492
Blocpdb> 9 atoms in block 64
Block first atom: 501
Blocpdb> 6 atoms in block 65
Block first atom: 510
Blocpdb> 7 atoms in block 66
Block first atom: 516
Blocpdb> 8 atoms in block 67
Block first atom: 523
Blocpdb> 10 atoms in block 68
Block first atom: 531
Blocpdb> 8 atoms in block 69
Block first atom: 541
Blocpdb> 7 atoms in block 70
Block first atom: 549
Blocpdb> 8 atoms in block 71
Block first atom: 556
Blocpdb> 11 atoms in block 72
Block first atom: 564
Blocpdb> 8 atoms in block 73
Block first atom: 575
Blocpdb> 11 atoms in block 74
Block first atom: 583
Blocpdb> 4 atoms in block 75
Block first atom: 594
Blocpdb> 4 atoms in block 76
Block first atom: 598
Blocpdb> 8 atoms in block 77
Block first atom: 602
Blocpdb> 9 atoms in block 78
Block first atom: 610
Blocpdb> 8 atoms in block 79
Block first atom: 619
Blocpdb> 11 atoms in block 80
Block first atom: 627
Blocpdb> 7 atoms in block 81
Block first atom: 638
Blocpdb> 9 atoms in block 82
Block first atom: 645
Blocpdb> 7 atoms in block 83
Block first atom: 654
Blocpdb> 8 atoms in block 84
Block first atom: 661
Blocpdb> 7 atoms in block 85
Block first atom: 669
Blocpdb> 4 atoms in block 86
Block first atom: 676
Blocpdb> 9 atoms in block 87
Block first atom: 680
Blocpdb> 7 atoms in block 88
Block first atom: 689
Blocpdb> 8 atoms in block 89
Block first atom: 696
Blocpdb> 7 atoms in block 90
Block first atom: 704
Blocpdb> 8 atoms in block 91
Block first atom: 711
Blocpdb> 9 atoms in block 92
Block first atom: 719
Blocpdb> 7 atoms in block 93
Block first atom: 728
Blocpdb> 9 atoms in block 94
Block first atom: 735
Blocpdb> 7 atoms in block 95
Block first atom: 744
Blocpdb> 6 atoms in block 96
Block first atom: 751
Blocpdb> 8 atoms in block 97
Block first atom: 757
Blocpdb> 7 atoms in block 98
Block first atom: 765
Blocpdb> 8 atoms in block 99
Block first atom: 772
Blocpdb> 9 atoms in block 100
Block first atom: 780
Blocpdb> 8 atoms in block 101
Block first atom: 789
Blocpdb> 7 atoms in block 102
Block first atom: 797
Blocpdb> 9 atoms in block 103
Block first atom: 804
Blocpdb> 5 atoms in block 104
Block first atom: 813
Blocpdb> 9 atoms in block 105
Block first atom: 818
Blocpdb> 8 atoms in block 106
Block first atom: 827
Blocpdb> 9 atoms in block 107
Block first atom: 835
Blocpdb> 8 atoms in block 108
Block first atom: 844
Blocpdb> 9 atoms in block 109
Block first atom: 852
Blocpdb> 9 atoms in block 110
Block first atom: 861
Blocpdb> 4 atoms in block 111
Block first atom: 870
Blocpdb> 8 atoms in block 112
Block first atom: 874
Blocpdb> 7 atoms in block 113
Block first atom: 882
Blocpdb> 7 atoms in block 114
Block first atom: 889
Blocpdb> 8 atoms in block 115
Block first atom: 896
Blocpdb> 9 atoms in block 116
Block first atom: 904
Blocpdb> 9 atoms in block 117
Block first atom: 913
Blocpdb> 11 atoms in block 118
Block first atom: 922
Blocpdb> 8 atoms in block 119
Block first atom: 933
Blocpdb> 8 atoms in block 120
Block first atom: 941
Blocpdb> 11 atoms in block 121
Block first atom: 949
Blocpdb> 5 atoms in block 122
Block first atom: 960
Blocpdb> 4 atoms in block 123
Block first atom: 965
Blocpdb> 9 atoms in block 124
Block first atom: 969
Blocpdb> 9 atoms in block 125
Block first atom: 978
Blocpdb> 8 atoms in block 126
Block first atom: 987
Blocpdb> 9 atoms in block 127
Block first atom: 995
Blocpdb> 8 atoms in block 128
Block first atom: 1004
Blocpdb> 4 atoms in block 129
Block first atom: 1012
Blocpdb> 11 atoms in block 130
Block first atom: 1016
Blocpdb> 7 atoms in block 131
Block first atom: 1027
Blocpdb> 8 atoms in block 132
Block first atom: 1034
Blocpdb> 6 atoms in block 133
Block first atom: 1042
Blocpdb> 8 atoms in block 134
Block first atom: 1048
Blocpdb> 12 atoms in block 135
Block first atom: 1056
Blocpdb> 8 atoms in block 136
Block first atom: 1068
Blocpdb> 8 atoms in block 137
Block first atom: 1076
Blocpdb> 9 atoms in block 138
Block first atom: 1084
Blocpdb> 9 atoms in block 139
Block first atom: 1093
Blocpdb> 9 atoms in block 140
Block first atom: 1102
Blocpdb> 6 atoms in block 141
Block first atom: 1111
Blocpdb> 7 atoms in block 142
Block first atom: 1117
Blocpdb> 8 atoms in block 143
Block first atom: 1124
Blocpdb> 10 atoms in block 144
Block first atom: 1132
Blocpdb> 8 atoms in block 145
Block first atom: 1142
Blocpdb> 7 atoms in block 146
Block first atom: 1150
Blocpdb> 8 atoms in block 147
Block first atom: 1157
Blocpdb> 11 atoms in block 148
Block first atom: 1165
Blocpdb> 8 atoms in block 149
Block first atom: 1175
Blocpdb> 149 blocks.
Blocpdb> At most, 12 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> 397067 matrix lines read.
Prepmat> Matrix order = 3549
Prepmat> Matrix trace = 866400.0000
Prepmat> Last element read: 3549 3549 113.5766
Prepmat> 11176 lines saved.
Prepmat> 9476 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: 1183
RTB> Total mass = 1183.0000
RTB> Number of atoms found in matrix: 1183
RTB> Number of blocks = 149
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 197435.9897
RTB> 58929 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 = 894
Diagstd> Nb of non-zero elements: 58929
Diagstd> Projected matrix trace = 197435.9897
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 894 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 197435.9897
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3323312 0.6357126 1.6314839 2.6894501
3.0876030 3.7132595 9.4530386 11.1177816 11.9754980
13.7504930 14.4329046 15.0218371 15.9141401 17.7978388
18.5886876 19.6379807 21.3625243 22.2555251 23.1037902
23.6609041 25.1951858 25.8427679 27.5410535 28.4734455
30.0089275 30.8701514 31.5467412 32.7881429 33.1500166
33.5460507 34.7006028 35.0643008 36.0359032 37.0220347
37.6134184 37.9398605 39.6510036 40.0794363 41.4647167
41.7842625 42.5748113 42.7183146 43.6204065 44.5700819
45.4063982 45.7883327 46.0920047 46.6761286 47.0294010
47.8299164 48.8270733 49.2752550 51.3827287 53.1079821
54.0111788 54.7096298 55.4412545 56.4107528 57.7640032
58.7879548 59.4674752 60.3575432 61.5126325 61.8546749
62.4673626 63.1787775 63.9962498 64.6735924 65.0531914
66.0883414 66.6296590 68.6111768 69.3205422 69.8237341
70.7696743 72.7068548 73.1144065 73.7359816 74.4843983
75.4613672 75.7051401 76.0944435 76.1614281 76.9829115
77.7671890 78.6409053 78.8057259 80.0134850 80.3891739
80.8215616 81.6548053 81.8052623 82.6753648 83.5297175
83.9559080 84.4449675 84.9145069 85.2970630 86.6643939
87.3033104
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034329 0.0034332 0.0034336 0.0034337
0.0034343 62.6009331 86.5816143 138.7032620 178.0848699
190.8121435 209.2535973 333.8727661 362.0798448 375.7872761
402.6747654 412.5457819 420.8785617 433.1984249 458.1196448
468.1873170 481.2200287 501.9050498 512.2880233 521.9596085
528.2152646 545.0722377 552.0326863 569.8828070 579.4490986
594.8678767 603.3435304 609.9195180 621.8042556 625.2261803
628.9497947 639.6814985 643.0250205 651.8729891 660.7321236
665.9884272 668.8721988 683.7894131 687.4736906 699.2534721
701.9426821 708.5518663 709.7449895 717.1997585 724.9649265
731.7349638 734.8060022 737.2386222 741.8954267 744.6976850
751.0089129 758.7970377 762.2715665 778.4018551 791.3619784
798.0628747 803.2064146 808.5591662 815.5981428 825.3229500
832.6058460 837.4039986 843.6475646 851.6819377 854.0465539
858.2659149 863.1392965 868.7054429 873.2905744 875.8496967
882.7906133 886.3986292 899.4824920 904.1203731 907.3959061
913.5217224 925.9402421 928.5317528 932.4703111 937.1906287
943.3169000 944.8393323 947.2655712 947.6824101 952.7795923
957.6206021 962.9850225 963.9936365 971.3525253 973.6302600
976.2451718 981.2646506 982.1682733 987.3777585 992.4663406
994.9950309 997.8888424 1000.6592774 1002.9108255 1010.9173080
1014.6368619
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1183
Rtb_to_modes> Number of blocs = 149
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: 9.9884E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9935E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3323
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6357
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.631
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.689
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.088
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.713
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.453
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.12
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.91
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 17.80
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 18.59
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 19.64
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 22.26
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 23.10
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 25.20
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 27.54
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 28.47
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 30.01
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.87
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 31.55
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 32.79
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 33.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 33.55
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 34.70
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 35.06
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 36.04
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 37.02
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 37.61
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 37.94
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 40.08
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 41.46
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 41.78
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 42.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 42.72
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 43.62
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 44.57
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 45.41
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 45.79
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 46.09
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 46.68
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.03
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.83
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.83
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 49.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 51.38
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 53.11
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 54.01
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 54.71
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 55.44
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 56.41
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 57.76
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 58.79
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 59.47
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 60.36
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 61.51
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 61.85
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 63.18
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 64.00
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 64.67
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 65.05
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 66.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 66.63
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 68.61
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 69.32
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 69.82
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 70.77
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 72.71
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 73.11
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 73.74
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 74.48
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 75.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 75.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 76.09
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 76.16
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 76.98
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 77.77
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 78.64
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 78.81
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 80.01
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 80.39
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 80.82
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 81.65
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 81.81
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 82.68
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 83.53
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 83.96
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 84.44
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 84.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 85.30
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 86.66
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 87.30
Rtb_to_modes> 106 vectors, with 894 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00001 0.99999 1.00000
1.00002 1.00001 1.00000 0.99999 1.00002
1.00000 0.99999 1.00003 1.00002 0.99999
0.99998 0.99995 0.99997 0.99998 1.00000
1.00003 0.99998 1.00000 0.99996 0.99998
0.99997 1.00000 0.99999 1.00001 1.00002
1.00000 1.00000 1.00002 1.00000 1.00000
1.00002 0.99998 1.00001 0.99999 0.99999
1.00001 1.00001 0.99999 0.99998 1.00000
1.00000 1.00002 1.00002 1.00002 1.00001
0.99998 1.00001 1.00000 0.99999 1.00001
1.00001 0.99998 1.00000 1.00000 1.00000
1.00000 0.99999 1.00002 0.99998 1.00001
1.00001 1.00000 0.99998 0.99999 1.00001
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 0.99998 0.99998 1.00001 0.99999
1.00000 0.99996 1.00002 0.99998 1.00002
0.99998 1.00000 0.99996 0.99997 0.99998
0.99999 1.00001 1.00000 0.99999 0.99998
1.00001 0.99998 1.00002 0.99998 1.00000
0.99999 0.99999 0.99999 1.00001 1.00003
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 21294 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00001 0.99999 1.00000
1.00002 1.00001 1.00000 0.99999 1.00002
1.00000 0.99999 1.00003 1.00002 0.99999
0.99998 0.99995 0.99997 0.99998 1.00000
1.00003 0.99998 1.00000 0.99996 0.99998
0.99997 1.00000 0.99999 1.00001 1.00002
1.00000 1.00000 1.00002 1.00000 1.00000
1.00002 0.99998 1.00001 0.99999 0.99999
1.00001 1.00001 0.99999 0.99998 1.00000
1.00000 1.00002 1.00002 1.00002 1.00001
0.99998 1.00001 1.00000 0.99999 1.00001
1.00001 0.99998 1.00000 1.00000 1.00000
1.00000 0.99999 1.00002 0.99998 1.00001
1.00001 1.00000 0.99998 0.99999 1.00001
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 0.99998 0.99998 1.00001 0.99999
1.00000 0.99996 1.00002 0.99998 1.00002
0.99998 1.00000 0.99996 0.99997 0.99998
0.99999 1.00001 1.00000 0.99999 0.99998
1.00001 0.99998 1.00002 0.99998 1.00000
0.99999 0.99999 0.99999 1.00001 1.00003
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> 240110220248539074.eigenfacs
Openam> file on opening on unit 10:
240110220248539074.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110220248539074.atom
Openam> file on opening on unit 11:
240110220248539074.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 = 149
First residue number = 1
Last residue number = 149
Number of atoms found = 1183
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: 9.9884E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9935E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 22.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 23.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 25.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 27.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 28.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 30.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 31.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 32.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 33.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 33.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 34.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 35.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 36.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 37.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 37.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 37.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 40.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 41.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 41.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 42.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 42.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 43.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 44.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 45.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 45.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 46.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 46.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 49.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 51.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 53.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 54.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 54.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 55.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 56.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 57.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 58.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 59.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 60.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 61.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 61.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 63.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 64.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 64.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 65.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 66.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 66.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 68.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 69.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 69.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 70.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 72.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 73.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 73.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 74.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 75.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 75.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 76.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 76.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 76.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 77.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 78.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 78.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 80.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 80.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 80.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 81.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 81.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 82.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 83.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 83.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 84.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 84.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 85.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 86.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 87.30
Bfactors> 106 vectors, 3549 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.332300
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= 0.519 for 149 C-alpha atoms.
Bfactors> = 0.100 +/- 0.06
Bfactors> = 35.990 +/- 6.37
Bfactors> Shiftng-fct= 35.890
Bfactors> Scaling-fct= 115.084
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110220248539074 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.7.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 240110220248539074.7.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 240110220248539074.7.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 240110220248539074 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.8.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 240110220248539074.8.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 240110220248539074.8.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 240110220248539074 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.9.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 240110220248539074.9.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 240110220248539074.9.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 240110220248539074 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.10.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 240110220248539074.10.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 240110220248539074.10.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 240110220248539074 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.11.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 240110220248539074.11.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 240110220248539074.11.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 240110220248539074 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.12.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 240110220248539074.12.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 240110220248539074.12.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 240110220248539074 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.13.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 240110220248539074.13.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 240110220248539074.13.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 240110220248539074 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.14.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 240110220248539074.14.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 240110220248539074.14.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 240110220248539074 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.15.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 240110220248539074.15.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 240110220248539074.15.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 240110220248539074 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.16.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 240110220248539074.16.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 240110220248539074.16.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 240110220248539074 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.17.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 240110220248539074.17.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 240110220248539074.17.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 240110220248539074 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.18.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 240110220248539074.18.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 240110220248539074.18.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 240110220248539074 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.19.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 240110220248539074.19.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 240110220248539074.19.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 240110220248539074 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.20.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 240110220248539074.20.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 240110220248539074.20.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 240110220248539074 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.21.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 240110220248539074.21.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 240110220248539074.21.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 240110220248539074 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.22.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 240110220248539074.22.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 240110220248539074.22.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 240110220248539074 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.23.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 240110220248539074.23.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 240110220248539074.23.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 240110220248539074 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.24.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 240110220248539074.24.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 240110220248539074.24.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 240110220248539074 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.25.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 240110220248539074.25.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 240110220248539074.25.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 240110220248539074 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.26.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 240110220248539074.26.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 240110220248539074.26.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 240110220248539074 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.27.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 240110220248539074.27.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 240110220248539074.27.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 240110220248539074 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.28.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 240110220248539074.28.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 240110220248539074.28.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 240110220248539074 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.29.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 240110220248539074.29.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 240110220248539074.29.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 240110220248539074 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.30.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 240110220248539074.30.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 240110220248539074.30.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 240110220248539074 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=-20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=0
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=20
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=40
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=60
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=80
240110220248539074.eigenfacs
240110220248539074.atom
calculating perturbed structure for DQ=100
240110220248539074.eigenfacs
240110220248539074.atom
making animated gifs
11 models are in 240110220248539074.31.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 240110220248539074.31.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 240110220248539074.31.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
240110220248539074.10.pdb
240110220248539074.11.pdb
240110220248539074.12.pdb
240110220248539074.13.pdb
240110220248539074.14.pdb
240110220248539074.15.pdb
240110220248539074.16.pdb
240110220248539074.17.pdb
240110220248539074.18.pdb
240110220248539074.19.pdb
240110220248539074.20.pdb
240110220248539074.21.pdb
240110220248539074.22.pdb
240110220248539074.23.pdb
240110220248539074.24.pdb
240110220248539074.25.pdb
240110220248539074.26.pdb
240110220248539074.27.pdb
240110220248539074.28.pdb
240110220248539074.29.pdb
240110220248539074.30.pdb
240110220248539074.31.pdb
240110220248539074.7.pdb
240110220248539074.8.pdb
240110220248539074.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.137s
user 0m10.071s
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: 240110220248539074.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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