*** 1ERR monomer ***
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 = 2404102156053369258.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 2404102156053369258.atom to be opened.
Openam> File opened: 2404102156053369258.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 = 224
First residue number = 307
Last residue number = 547
Number of atoms found = 1775
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 61.539646 +/- 10.033884 From: 40.134000 To: 88.121000
= 43.095242 +/- 10.669397 From: 19.256000 To: 67.294000
= 68.904628 +/- 9.963846 From: 45.465000 To: 92.777000
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 4.5103 % Filled.
Pdbmat> 639589 non-zero elements.
Pdbmat> 69891 atom-atom interactions.
Pdbmat> Number per atom= 78.75 +/- 20.22
Maximum number = 132
Minimum number = 24
Pdbmat> Matrix trace = 1.397820E+06
Pdbmat> Larger element = 513.337
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
224 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404102156053369258.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404102156053369258.atom to be opened.
Openam> file on opening on unit 11:
2404102156053369258.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1775 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 224 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 14
Blocpdb> 12 atoms in block 3
Block first atom: 28
Blocpdb> 17 atoms in block 4
Block first atom: 40
Blocpdb> 15 atoms in block 5
Block first atom: 57
Blocpdb> 11 atoms in block 6
Block first atom: 72
Blocpdb> 16 atoms in block 7
Block first atom: 83
Blocpdb> 13 atoms in block 8
Block first atom: 99
Blocpdb> 16 atoms in block 9
Block first atom: 112
Blocpdb> 15 atoms in block 10
Block first atom: 128
Blocpdb> 20 atoms in block 11
Block first atom: 143
Blocpdb> 15 atoms in block 12
Block first atom: 163
Blocpdb> 10 atoms in block 13
Block first atom: 178
Blocpdb> 14 atoms in block 14
Block first atom: 188
Blocpdb> 18 atoms in block 15
Block first atom: 202
Blocpdb> 17 atoms in block 16
Block first atom: 220
Blocpdb> 14 atoms in block 17
Block first atom: 237
Blocpdb> 14 atoms in block 18
Block first atom: 251
Blocpdb> 12 atoms in block 19
Block first atom: 265
Blocpdb> 16 atoms in block 20
Block first atom: 277
Blocpdb> 15 atoms in block 21
Block first atom: 293
Blocpdb> 13 atoms in block 22
Block first atom: 308
Blocpdb> 19 atoms in block 23
Block first atom: 321
Blocpdb> 17 atoms in block 24
Block first atom: 340
Blocpdb> 17 atoms in block 25
Block first atom: 357
Blocpdb> 16 atoms in block 26
Block first atom: 374
Blocpdb> 22 atoms in block 27
Block first atom: 390
Blocpdb> 14 atoms in block 28
Block first atom: 412
Blocpdb> 18 atoms in block 29
Block first atom: 426
Blocpdb> 11 atoms in block 30
Block first atom: 444
Blocpdb> 18 atoms in block 31
Block first atom: 455
Blocpdb> 16 atoms in block 32
Block first atom: 473
Blocpdb> 15 atoms in block 33
Block first atom: 489
Blocpdb> 23 atoms in block 34
Block first atom: 504
Blocpdb> 16 atoms in block 35
Block first atom: 527
Blocpdb> 23 atoms in block 36
Block first atom: 543
Blocpdb> 17 atoms in block 37
Block first atom: 566
Blocpdb> 19 atoms in block 38
Block first atom: 583
Blocpdb> 17 atoms in block 39
Block first atom: 602
Blocpdb> 16 atoms in block 40
Block first atom: 619
Blocpdb> 16 atoms in block 41
Block first atom: 635
Blocpdb> 12 atoms in block 42
Block first atom: 651
Blocpdb> 21 atoms in block 43
Block first atom: 663
Blocpdb> 17 atoms in block 44
Block first atom: 684
Blocpdb> 14 atoms in block 45
Block first atom: 701
Blocpdb> 17 atoms in block 46
Block first atom: 715
Blocpdb> 13 atoms in block 47
Block first atom: 732
Blocpdb> 16 atoms in block 48
Block first atom: 745
Blocpdb> 16 atoms in block 49
Block first atom: 761
Blocpdb> 15 atoms in block 50
Block first atom: 777
Blocpdb> 16 atoms in block 51
Block first atom: 792
Blocpdb> 16 atoms in block 52
Block first atom: 808
Blocpdb> 19 atoms in block 53
Block first atom: 824
Blocpdb> 13 atoms in block 54
Block first atom: 843
Blocpdb> 11 atoms in block 55
Block first atom: 856
Blocpdb> 12 atoms in block 56
Block first atom: 867
Blocpdb> 12 atoms in block 57
Block first atom: 879
Blocpdb> 16 atoms in block 58
Block first atom: 891
Blocpdb> 19 atoms in block 59
Block first atom: 907
Blocpdb> 16 atoms in block 60
Block first atom: 926
Blocpdb> 16 atoms in block 61
Block first atom: 942
Blocpdb> 12 atoms in block 62
Block first atom: 958
Blocpdb> 12 atoms in block 63
Block first atom: 970
Blocpdb> 22 atoms in block 64
Block first atom: 982
Blocpdb> 19 atoms in block 65
Block first atom: 1004
Blocpdb> 16 atoms in block 66
Block first atom: 1023
Blocpdb> 17 atoms in block 67
Block first atom: 1039
Blocpdb> 13 atoms in block 68
Block first atom: 1056
Blocpdb> 20 atoms in block 69
Block first atom: 1069
Blocpdb> 13 atoms in block 70
Block first atom: 1089
Blocpdb> 17 atoms in block 71
Block first atom: 1102
Blocpdb> 14 atoms in block 72
Block first atom: 1119
Blocpdb> 16 atoms in block 73
Block first atom: 1133
Blocpdb> 16 atoms in block 74
Block first atom: 1149
Blocpdb> 10 atoms in block 75
Block first atom: 1165
Blocpdb> 19 atoms in block 76
Block first atom: 1175
Blocpdb> 10 atoms in block 77
Block first atom: 1194
Blocpdb> 21 atoms in block 78
Block first atom: 1204
Blocpdb> 18 atoms in block 79
Block first atom: 1225
Blocpdb> 18 atoms in block 80
Block first atom: 1243
Blocpdb> 15 atoms in block 81
Block first atom: 1261
Blocpdb> 17 atoms in block 82
Block first atom: 1276
Blocpdb> 15 atoms in block 83
Block first atom: 1293
Blocpdb> 15 atoms in block 84
Block first atom: 1308
Blocpdb> 16 atoms in block 85
Block first atom: 1323
Blocpdb> 18 atoms in block 86
Block first atom: 1339
Blocpdb> 13 atoms in block 87
Block first atom: 1357
Blocpdb> 11 atoms in block 88
Block first atom: 1370
Blocpdb> 12 atoms in block 89
Block first atom: 1381
Blocpdb> 15 atoms in block 90
Block first atom: 1393
Blocpdb> 18 atoms in block 91
Block first atom: 1408
Blocpdb> 24 atoms in block 92
Block first atom: 1426
Blocpdb> 20 atoms in block 93
Block first atom: 1450
Blocpdb> 13 atoms in block 94
Block first atom: 1470
Blocpdb> 17 atoms in block 95
Block first atom: 1483
Blocpdb> 16 atoms in block 96
Block first atom: 1500
Blocpdb> 16 atoms in block 97
Block first atom: 1516
Blocpdb> 16 atoms in block 98
Block first atom: 1532
Blocpdb> 19 atoms in block 99
Block first atom: 1548
Blocpdb> 18 atoms in block 100
Block first atom: 1567
Blocpdb> 14 atoms in block 101
Block first atom: 1585
Blocpdb> 13 atoms in block 102
Block first atom: 1599
Blocpdb> 17 atoms in block 103
Block first atom: 1612
Blocpdb> 18 atoms in block 104
Block first atom: 1629
Blocpdb> 18 atoms in block 105
Block first atom: 1647
Blocpdb> 8 atoms in block 106
Block first atom: 1665
Blocpdb> 15 atoms in block 107
Block first atom: 1673
Blocpdb> 20 atoms in block 108
Block first atom: 1688
Blocpdb> 16 atoms in block 109
Block first atom: 1708
Blocpdb> 13 atoms in block 110
Block first atom: 1724
Blocpdb> 16 atoms in block 111
Block first atom: 1737
Blocpdb> 13 atoms in block 112
Block first atom: 1753
Blocpdb> 10 atoms in block 113
Block first atom: 1765
Blocpdb> 113 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 8 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> 639702 matrix lines read.
Prepmat> Matrix order = 5325
Prepmat> Matrix trace = 1397820.0000
Prepmat> Last element read: 5325 5325 284.4920
Prepmat> 6442 lines saved.
Prepmat> 5263 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: 1775
RTB> Total mass = 1775.0000
RTB> Number of atoms found in matrix: 1775
RTB> Number of blocks = 113
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 147974.9408
RTB> 40713 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 = 678
Diagstd> Nb of non-zero elements: 40713
Diagstd> Projected matrix trace = 147974.9408
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 678 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 147974.9408
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 3.5435399 3.9320523 5.2738893 6.3239844
7.9149820 9.5294807 11.6689790 12.4699137 12.7966932
14.4779919 14.7051755 15.5482407 16.2807017 17.1332265
18.6639302 20.9822481 21.0552698 21.5921296 22.5214959
23.9036934 25.4636556 26.7280855 27.6924953 29.4818912
30.1465281 31.0396157 32.0234765 32.5155042 32.7580094
33.7323946 34.3332482 35.4819348 36.2629167 36.6901946
37.5345629 38.9771371 39.1959999 39.9962958 41.4171155
42.3411527 43.3583749 43.8916533 44.0375182 44.7715742
46.4313521 47.8290686 48.5568361 49.2585082 49.8911421
51.9199428 52.5390333 53.9635066 55.3076573 55.8672242
56.1513009 57.1255513 57.2947531 58.4590096 59.8137121
60.2320818 61.2129776 62.1202974 62.3800829 62.6262908
64.2715586 65.2299744 66.8119109 67.0865919 68.2655959
69.0083928 69.6084923 70.1672642 70.6496922 71.2297011
73.2257647 73.5456255 74.6615387 75.0852836 76.1754122
76.5933680 77.8895678 78.6430600 79.0880605 80.1632148
80.5801412 82.6929777 82.9905661 83.6987123 84.4503567
85.4197156 86.3730758 86.9412251 87.5412613 87.8503475
88.5443530 89.8273640 90.4094586 91.1025212 91.6221383
92.1526294
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034332 0.0034333 0.0034337 0.0034339
0.0034356 204.4155576 215.3301908 249.3795199 273.0804911
305.5063529 335.2199813 370.9468689 383.4661248 388.4580803
413.1896600 416.4188557 428.1893957 438.1591041 449.4846430
469.1339158 497.4177622 498.2825579 504.5950891 515.3400515
530.9184105 547.9685783 561.4087878 571.4474844 589.6210088
596.2301478 604.9973164 614.5107988 619.2136570 621.5184595
630.6942421 636.2865259 646.8430665 653.9230509 657.7642835
665.2899484 677.9540329 679.8547785 686.7602757 698.8519881
706.6048581 715.0423730 719.4262009 720.6206416 726.6017888
739.9475657 751.0022569 756.6943144 762.1420219 767.0205560
782.4604281 787.1116115 797.7105976 807.5843831 811.6594084
813.7203768 820.7492269 821.9638285 830.2731757 839.8382650
842.7702901 849.6049483 855.8783550 857.6661188 859.3570132
870.5720023 877.0389565 887.6100829 889.4328080 897.2143751
902.0824565 905.9962369 909.6253438 912.7470069 916.4860126
929.2385921 931.2659051 938.3043901 940.9633168 947.7694085
950.3659410 958.3737887 962.9982150 965.7189265 972.2609500
974.7860203 987.4829271 989.2581657 993.4697973 997.9206838
1003.6316320 1009.2168039 1012.5306026 1016.0186505 1017.8107234
1021.8230957 1029.1995981 1032.5288959 1036.4789304 1039.4305856
1042.4353874
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1775
Rtb_to_modes> Number of blocs = 113
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: 9.9942E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.544
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.932
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.274
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.324
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.915
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.529
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.67
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.80
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 14.48
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.71
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 15.55
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 17.13
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 18.66
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 20.98
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 21.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 22.52
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 23.90
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 25.46
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 26.73
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 27.69
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 29.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 30.15
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 31.04
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 32.02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 32.52
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 32.76
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 33.73
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 34.33
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 35.48
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 36.26
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 36.69
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 37.53
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 38.98
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 39.20
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 40.00
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 41.42
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 42.34
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 43.36
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 43.89
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 44.04
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 44.77
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 46.43
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 47.83
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 48.56
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 49.26
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 49.89
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 51.92
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 53.96
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 55.31
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 55.87
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 56.15
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 57.13
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 57.29
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 58.46
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 59.81
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 60.23
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 61.21
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 62.12
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 62.38
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 62.63
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 64.27
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 65.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 66.81
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 67.09
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 68.27
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 69.01
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 69.61
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 70.17
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 70.65
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 71.23
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 73.23
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 73.55
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 74.66
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 75.09
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 76.18
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 76.59
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 77.89
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 78.64
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 79.09
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 80.16
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 80.58
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 82.69
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 82.99
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 83.70
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 84.45
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 85.42
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 86.37
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 86.94
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 87.54
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 87.85
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 88.54
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 89.83
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 90.41
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 91.10
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 91.62
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 92.15
Rtb_to_modes> 106 vectors, with 678 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99998 1.00001 1.00002 0.99999
0.99999 1.00000 1.00001 0.99995 0.99998
0.99998 1.00003 1.00001 1.00001 1.00000
1.00002 1.00003 1.00000 1.00002 0.99999
0.99998 1.00001 0.99999 0.99999 1.00004
1.00000 1.00001 1.00001 1.00001 1.00001
1.00002 1.00000 1.00000 1.00003 1.00000
1.00002 0.99999 1.00001 1.00004 1.00001
1.00001 1.00001 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 1.00000 1.00002 1.00001 1.00001
1.00001 0.99999 1.00003 1.00000 0.99999
1.00001 1.00004 1.00001 0.99998 1.00001
1.00003 1.00000 0.99999 1.00000 1.00001
1.00002 1.00000 1.00004 1.00001 0.99998
1.00002 1.00000 1.00002 0.99999 1.00001
1.00002 1.00002 1.00000 1.00002 1.00001
0.99998 0.99999 1.00001 0.99999 0.99998
0.99999 0.99999 1.00001 0.99999 0.99998
0.99999 1.00000 0.99998 0.99999 1.00000
0.99998 1.00001 1.00002 0.99999 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 31950 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99998 1.00001 1.00002 0.99999
0.99999 1.00000 1.00001 0.99995 0.99998
0.99998 1.00003 1.00001 1.00001 1.00000
1.00002 1.00003 1.00000 1.00002 0.99999
0.99998 1.00001 0.99999 0.99999 1.00004
1.00000 1.00001 1.00001 1.00001 1.00001
1.00002 1.00000 1.00000 1.00003 1.00000
1.00002 0.99999 1.00001 1.00004 1.00001
1.00001 1.00001 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 1.00000 1.00002 1.00001 1.00001
1.00001 0.99999 1.00003 1.00000 0.99999
1.00001 1.00004 1.00001 0.99998 1.00001
1.00003 1.00000 0.99999 1.00000 1.00001
1.00002 1.00000 1.00004 1.00001 0.99998
1.00002 1.00000 1.00002 0.99999 1.00001
1.00002 1.00002 1.00000 1.00002 1.00001
0.99998 0.99999 1.00001 0.99999 0.99998
0.99999 0.99999 1.00001 0.99999 0.99998
0.99999 1.00000 0.99998 0.99999 1.00000
0.99998 1.00001 1.00002 0.99999 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4: 0.000 0.000 0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6:-0.000 0.000-0.000-0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000-0.000 0.000
Vector 8: 0.000-0.000 0.000 0.000-0.000 0.000-0.000
Vector 9: 0.000-0.000-0.000 0.000-0.000 0.000-0.000 0.000
Vector 10:-0.000-0.000-0.000-0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404102156053369258.eigenfacs
Openam> file on opening on unit 10:
2404102156053369258.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404102156053369258.atom
Openam> file on opening on unit 11:
2404102156053369258.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 = 224
First residue number = 307
Last residue number = 547
Number of atoms found = 1775
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: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 14.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 15.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 20.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 22.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 23.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 25.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 26.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 27.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 29.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 30.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 31.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 32.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 32.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 32.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 33.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 34.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 35.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 36.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 36.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 37.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 38.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 39.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 40.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 41.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 42.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 43.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 43.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 44.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 44.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 46.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 47.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 48.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 49.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 49.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 51.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 53.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 55.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 55.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 56.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 57.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 57.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 58.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 59.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 60.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 61.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 62.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 62.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 62.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 64.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 65.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 66.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 67.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 68.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 69.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 69.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 70.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 70.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 71.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 73.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 73.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 74.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 75.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 76.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 76.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 77.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 78.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 79.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 80.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 80.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 82.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 82.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 83.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 84.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 85.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 86.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 86.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 87.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 87.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 88.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 89.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 90.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 91.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 91.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 92.15
Bfactors> 106 vectors, 5325 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 3.544000
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= 0.687 for 225 C-alpha atoms.
Bfactors> = 0.028 +/- 0.03
Bfactors> = 54.106 +/- 22.37
Bfactors> Shiftng-fct= 54.078
Bfactors> Scaling-fct= 893.210
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404102156053369258 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=0
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=100
2404102156053369258.eigenfacs
2404102156053369258.atom
making animated gifs
11 models are in 2404102156053369258.7.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 2404102156053369258.7.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 2404102156053369258.7.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 2404102156053369258 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=0
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=100
2404102156053369258.eigenfacs
2404102156053369258.atom
making animated gifs
11 models are in 2404102156053369258.8.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 2404102156053369258.8.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 2404102156053369258.8.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 2404102156053369258 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=0
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=100
2404102156053369258.eigenfacs
2404102156053369258.atom
making animated gifs
11 models are in 2404102156053369258.9.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 2404102156053369258.9.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 2404102156053369258.9.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 2404102156053369258 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=0
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=100
2404102156053369258.eigenfacs
2404102156053369258.atom
making animated gifs
11 models are in 2404102156053369258.10.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 2404102156053369258.10.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 2404102156053369258.10.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 2404102156053369258 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=-20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=0
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=20
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=40
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=60
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=80
2404102156053369258.eigenfacs
2404102156053369258.atom
calculating perturbed structure for DQ=100
2404102156053369258.eigenfacs
2404102156053369258.atom
making animated gifs
11 models are in 2404102156053369258.11.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 2404102156053369258.11.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 2404102156053369258.11.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
2404102156053369258.10.pdb
2404102156053369258.11.pdb
2404102156053369258.7.pdb
2404102156053369258.8.pdb
2404102156053369258.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m5.834s
user 0m5.814s
sys 0m0.020s
../../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: 2404102156053369258.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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