*** LIPID BINDING PROTEIN 11-OCT-10 3P6D ***
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 = 2402091305182111772.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 2402091305182111772.atom to be opened.
Openam> File opened: 2402091305182111772.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 = 139
First residue number = -7
Last residue number = 131
Number of atoms found = 1207
Mean number per residue = 8.7
Pdbmat> Coordinate statistics:
= 7.752541 +/- 6.792992 From: -7.769000 To: 22.852000
= 9.955152 +/- 8.312601 From: -7.381000 To: 31.359000
= 14.568382 +/- 10.166247 From: -13.981000 To: 34.107000
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 7.0207 % Filled.
Pdbmat> 460394 non-zero elements.
Pdbmat> 50358 atom-atom interactions.
Pdbmat> Number per atom= 83.44 +/- 24.26
Maximum number = 131
Minimum number = 10
Pdbmat> Matrix trace = 1.007160E+06
Pdbmat> Larger element = 536.825
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
139 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 = 2402091305182111772.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 2402091305182111772.atom to be opened.
Openam> file on opening on unit 11:
2402091305182111772.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1207 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> 139 residues.
Blocpdb> 5 atoms in block 1
Block first atom: 1
Blocpdb> 5 atoms in block 2
Block first atom: 6
Blocpdb> 8 atoms in block 3
Block first atom: 11
Blocpdb> 4 atoms in block 4
Block first atom: 19
Blocpdb> 11 atoms in block 5
Block first atom: 23
Blocpdb> 4 atoms in block 6
Block first atom: 34
Blocpdb> 6 atoms in block 7
Block first atom: 38
Blocpdb> 16 atoms in block 8
Block first atom: 44
Blocpdb> 9 atoms in block 9
Block first atom: 60
Blocpdb> 8 atoms in block 10
Block first atom: 69
Blocpdb> 5 atoms in block 11
Block first atom: 77
Blocpdb> 11 atoms in block 12
Block first atom: 82
Blocpdb> 7 atoms in block 13
Block first atom: 93
Blocpdb> 4 atoms in block 14
Block first atom: 100
Blocpdb> 7 atoms in block 15
Block first atom: 104
Blocpdb> 14 atoms in block 16
Block first atom: 111
Blocpdb> 9 atoms in block 17
Block first atom: 125
Blocpdb> 8 atoms in block 18
Block first atom: 134
Blocpdb> 7 atoms in block 19
Block first atom: 142
Blocpdb> 6 atoms in block 20
Block first atom: 149
Blocpdb> 6 atoms in block 21
Block first atom: 155
Blocpdb> 16 atoms in block 22
Block first atom: 161
Blocpdb> 13 atoms in block 23
Block first atom: 177
Blocpdb> 11 atoms in block 24
Block first atom: 190
Blocpdb> 8 atoms in block 25
Block first atom: 201
Blocpdb> 8 atoms in block 26
Block first atom: 209
Blocpdb> 12 atoms in block 27
Block first atom: 217
Blocpdb> 8 atoms in block 28
Block first atom: 229
Blocpdb> 9 atoms in block 29
Block first atom: 237
Blocpdb> 9 atoms in block 30
Block first atom: 246
Blocpdb> 7 atoms in block 31
Block first atom: 255
Blocpdb> 4 atoms in block 32
Block first atom: 262
Blocpdb> 7 atoms in block 33
Block first atom: 266
Blocpdb> 4 atoms in block 34
Block first atom: 273
Blocpdb> 11 atoms in block 35
Block first atom: 277
Blocpdb> 5 atoms in block 36
Block first atom: 288
Blocpdb> 7 atoms in block 37
Block first atom: 293
Blocpdb> 11 atoms in block 38
Block first atom: 300
Blocpdb> 9 atoms in block 39
Block first atom: 311
Blocpdb> 11 atoms in block 40
Block first atom: 320
Blocpdb> 5 atoms in block 41
Block first atom: 331
Blocpdb> 4 atoms in block 42
Block first atom: 336
Blocpdb> 8 atoms in block 43
Block first atom: 340
Blocpdb> 5 atoms in block 44
Block first atom: 348
Blocpdb> 9 atoms in block 45
Block first atom: 353
Blocpdb> 7 atoms in block 46
Block first atom: 362
Blocpdb> 8 atoms in block 47
Block first atom: 369
Blocpdb> 8 atoms in block 48
Block first atom: 377
Blocpdb> 8 atoms in block 49
Block first atom: 385
Blocpdb> 8 atoms in block 50
Block first atom: 393
Blocpdb> 6 atoms in block 51
Block first atom: 401
Blocpdb> 7 atoms in block 52
Block first atom: 407
Blocpdb> 8 atoms in block 53
Block first atom: 414
Blocpdb> 4 atoms in block 54
Block first atom: 422
Blocpdb> 8 atoms in block 55
Block first atom: 426
Blocpdb> 7 atoms in block 56
Block first atom: 434
Blocpdb> 8 atoms in block 57
Block first atom: 441
Blocpdb> 7 atoms in block 58
Block first atom: 449
Blocpdb> 8 atoms in block 59
Block first atom: 456
Blocpdb> 9 atoms in block 60
Block first atom: 464
Blocpdb> 6 atoms in block 61
Block first atom: 473
Blocpdb> 9 atoms in block 62
Block first atom: 479
Blocpdb> 12 atoms in block 63
Block first atom: 488
Blocpdb> 14 atoms in block 64
Block first atom: 500
Blocpdb> 22 atoms in block 65
Block first atom: 514
Blocpdb> 18 atoms in block 66
Block first atom: 536
Blocpdb> 8 atoms in block 67
Block first atom: 554
Blocpdb> 7 atoms in block 68
Block first atom: 562
Blocpdb> 9 atoms in block 69
Block first atom: 569
Blocpdb> 8 atoms in block 70
Block first atom: 578
Blocpdb> 6 atoms in block 71
Block first atom: 586
Blocpdb> 11 atoms in block 72
Block first atom: 592
Blocpdb> 8 atoms in block 73
Block first atom: 603
Blocpdb> 8 atoms in block 74
Block first atom: 611
Blocpdb> 4 atoms in block 75
Block first atom: 619
Blocpdb> 9 atoms in block 76
Block first atom: 623
Blocpdb> 9 atoms in block 77
Block first atom: 632
Blocpdb> 11 atoms in block 78
Block first atom: 641
Blocpdb> 8 atoms in block 79
Block first atom: 652
Blocpdb> 9 atoms in block 80
Block first atom: 660
Blocpdb> 14 atoms in block 81
Block first atom: 669
Blocpdb> 7 atoms in block 82
Block first atom: 683
Blocpdb> 5 atoms in block 83
Block first atom: 690
Blocpdb> 8 atoms in block 84
Block first atom: 695
Blocpdb> 8 atoms in block 85
Block first atom: 703
Blocpdb> 11 atoms in block 86
Block first atom: 711
Blocpdb> 9 atoms in block 87
Block first atom: 722
Blocpdb> 7 atoms in block 88
Block first atom: 731
Blocpdb> 9 atoms in block 89
Block first atom: 738
Blocpdb> 6 atoms in block 90
Block first atom: 747
Blocpdb> 7 atoms in block 91
Block first atom: 753
Blocpdb> 8 atoms in block 92
Block first atom: 760
Blocpdb> 7 atoms in block 93
Block first atom: 768
Blocpdb> 16 atoms in block 94
Block first atom: 775
Blocpdb> 16 atoms in block 95
Block first atom: 791
Blocpdb> 8 atoms in block 96
Block first atom: 807
Blocpdb> 8 atoms in block 97
Block first atom: 815
Blocpdb> 7 atoms in block 98
Block first atom: 823
Blocpdb> 8 atoms in block 99
Block first atom: 830
Blocpdb> 7 atoms in block 100
Block first atom: 838
Blocpdb> 10 atoms in block 101
Block first atom: 845
Blocpdb> 7 atoms in block 102
Block first atom: 855
Blocpdb> 9 atoms in block 103
Block first atom: 862
Blocpdb> 9 atoms in block 104
Block first atom: 871
Blocpdb> 14 atoms in block 105
Block first atom: 880
Blocpdb> 13 atoms in block 106
Block first atom: 894
Blocpdb> 4 atoms in block 107
Block first atom: 907
Blocpdb> 9 atoms in block 108
Block first atom: 911
Blocpdb> 6 atoms in block 109
Block first atom: 920
Blocpdb> 7 atoms in block 110
Block first atom: 926
Blocpdb> 7 atoms in block 111
Block first atom: 933
Blocpdb> 8 atoms in block 112
Block first atom: 940
Blocpdb> 9 atoms in block 113
Block first atom: 948
Blocpdb> 11 atoms in block 114
Block first atom: 957
Blocpdb> 9 atoms in block 115
Block first atom: 968
Blocpdb> 11 atoms in block 116
Block first atom: 977
Blocpdb> 9 atoms in block 117
Block first atom: 988
Blocpdb> 8 atoms in block 118
Block first atom: 997
Blocpdb> 8 atoms in block 119
Block first atom: 1005
Blocpdb> 9 atoms in block 120
Block first atom: 1013
Blocpdb> 13 atoms in block 121
Block first atom: 1022
Blocpdb> 7 atoms in block 122
Block first atom: 1035
Blocpdb> 7 atoms in block 123
Block first atom: 1042
Blocpdb> 18 atoms in block 124
Block first atom: 1049
Blocpdb> 6 atoms in block 125
Block first atom: 1067
Blocpdb> 7 atoms in block 126
Block first atom: 1073
Blocpdb> 16 atoms in block 127
Block first atom: 1080
Blocpdb> 18 atoms in block 128
Block first atom: 1096
Blocpdb> 6 atoms in block 129
Block first atom: 1114
Blocpdb> 7 atoms in block 130
Block first atom: 1120
Blocpdb> 7 atoms in block 131
Block first atom: 1127
Blocpdb> 6 atoms in block 132
Block first atom: 1134
Blocpdb> 7 atoms in block 133
Block first atom: 1140
Blocpdb> 11 atoms in block 134
Block first atom: 1147
Blocpdb> 7 atoms in block 135
Block first atom: 1158
Blocpdb> 12 atoms in block 136
Block first atom: 1165
Blocpdb> 15 atoms in block 137
Block first atom: 1177
Blocpdb> 11 atoms in block 138
Block first atom: 1192
Blocpdb> 5 atoms in block 139
Block first atom: 1202
Blocpdb> 139 blocks.
Blocpdb> At most, 22 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> 460533 matrix lines read.
Prepmat> Matrix order = 3621
Prepmat> Matrix trace = 1007160.0000
Prepmat> Last element read: 3621 3621 179.9321
Prepmat> 9731 lines saved.
Prepmat> 8124 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: 1207
RTB> Total mass = 1207.0000
RTB> Number of atoms found in matrix: 1207
RTB> Number of blocks = 139
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 208823.1786
RTB> 55731 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 = 834
Diagstd> Nb of non-zero elements: 55731
Diagstd> Projected matrix trace = 208823.1786
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 834 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 208823.1786
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 0.0721359 0.2110412 0.2771795 1.2939059
1.5323448 2.9742540 4.2314467 6.1291235 8.0271999
9.1910526 9.6835235 11.6100960 12.5902130 12.8783043
14.6088969 14.9478355 16.1760161 16.9420089 17.2916064
17.8437351 18.1994426 19.4694843 20.0889953 20.8366446
20.8804205 22.5288152 23.4935700 24.6104296 25.7541754
25.9627673 27.1383616 29.1892928 30.0365544 31.1618048
32.5210415 33.0630933 34.8292004 35.8504789 36.4183591
36.8932509 37.2466319 37.8224281 38.2508513 39.3990839
40.1929839 41.1813256 42.3692950 43.0488507 43.5557998
44.4905242 45.6940692 46.0408793 46.1421515 47.1167297
47.9294712 48.9407281 49.5335195 50.9305141 51.4084088
54.6292721 55.1543224 55.6666263 55.9186814 57.6979201
57.8252103 59.2749312 59.4473558 60.1241930 60.2901230
60.8825178 62.4052933 63.5079222 63.9106829 64.9257015
65.6326471 66.2262307 66.9893143 67.6607309 68.6643922
69.2920038 70.2510901 72.7792335 73.7556599 74.9794645
75.4641144 76.5430097 77.2917379 78.4026998 78.8601337
80.0651620 81.7152059 82.2447358 82.9464591 83.3247618
85.1205630 85.3801734 87.1479936 88.0684675 88.3232983
89.6662084
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034315 0.0034339 0.0034342 0.0034344
0.0034346 29.1656033 49.8860305 57.1710069 123.5226575
134.4229820 187.2769424 223.3776488 268.8403590 307.6644511
329.2137053 337.9185134 370.0097651 385.3113656 389.6948094
415.0534158 419.8406006 436.7481420 446.9693393 451.5573862
458.7099538 463.2594884 479.1511162 486.7146166 495.6888752
496.2093011 515.4237854 526.3441350 538.7098022 551.0856531
553.3128689 565.7011906 586.6878129 595.1416378 606.1869487
619.2663801 624.4059334 640.8657058 650.1937058 655.3230853
659.5819207 662.7332861 667.8362412 671.6079571 681.6137487
688.4468301 696.8598469 706.8396437 712.4855501 716.6684351
724.3176058 734.0492479 736.8296355 737.6395611 745.3887777
751.7900943 759.6796508 764.2665880 774.9689645 778.5963458
802.6163220 806.4641327 810.2009182 812.0331165 824.8507224
825.7600933 836.0472247 837.2623289 842.0151589 843.1762499
847.3085373 857.8394104 865.3847394 868.1244931 874.9910398
879.7418267 883.7110775 888.7877222 893.2306618 899.8312474
903.9342465 910.1685276 926.4010082 932.5947293 940.3000243
943.3340707 950.0534681 954.6887756 961.5254623 964.3263516
971.6661502 981.6275079 984.8029372 988.9952504 991.2479924
1001.8726569 1003.3993064 1013.7339157 1019.0734801 1020.5467869
1028.2759613
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1207
Rtb_to_modes> Number of blocs = 139
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: 9.9851E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9860E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.2136E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2110
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2772
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.294
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.532
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.974
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.231
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.129
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.027
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.191
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.684
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.61
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.88
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 14.61
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.95
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.18
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.94
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.29
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.84
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.20
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.47
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.09
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.84
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 20.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.53
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.49
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 25.75
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.96
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.14
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 30.04
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 31.16
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 32.52
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 33.06
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 34.83
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 35.85
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 36.42
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 36.89
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 37.25
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 37.82
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 38.25
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 39.40
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 40.19
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 41.18
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 42.37
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.05
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 43.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 44.49
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 45.69
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 46.14
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 47.12
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 47.93
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 48.94
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 49.53
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 50.93
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 51.41
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 54.63
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 55.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 55.67
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 55.92
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.70
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 57.83
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 59.27
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.45
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.12
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.29
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 60.88
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 62.41
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 63.51
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 63.91
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 64.93
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.63
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 66.23
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 66.99
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 67.66
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 68.66
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 69.29
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 70.25
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.78
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 73.76
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 74.98
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 75.46
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 76.54
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 77.29
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 78.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 78.86
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 80.07
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 81.72
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 82.24
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 82.95
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 83.32
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 85.12
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 85.38
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 87.15
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 88.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 88.32
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 89.67
Rtb_to_modes> 106 vectors, with 834 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00002 0.99998 1.00000 1.00000
0.99999 0.99999 0.99997 0.99999 0.99998
0.99999 0.99996 0.99998 1.00000 0.99997
1.00001 1.00000 1.00001 1.00000 1.00006
1.00000 1.00001 0.99999 1.00000 1.00001
1.00000 1.00000 1.00000 1.00003 1.00001
0.99997 1.00000 1.00002 1.00001 0.99999
1.00001 0.99999 1.00002 1.00000 0.99999
0.99998 0.99999 1.00001 1.00004 1.00000
0.99998 1.00000 1.00001 1.00003 1.00001
1.00000 1.00002 0.99999 1.00000 0.99999
1.00000 1.00001 1.00004 0.99996 1.00002
1.00002 1.00001 1.00002 1.00002 1.00003
1.00002 1.00001 1.00004 0.99997 1.00002
1.00002 0.99999 1.00002 1.00000 1.00000
0.99997 1.00000 0.99999 1.00000 0.99999
0.99999 1.00001 0.99999 1.00002 1.00000
1.00002 1.00000 0.99998 1.00000 1.00002
1.00001 1.00003 1.00000 1.00000 1.00001
0.99997 1.00001 1.00001 1.00002 1.00003
1.00005 1.00001 0.99999 1.00002 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 21726 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00002 0.99998 1.00000 1.00000
0.99999 0.99999 0.99997 0.99999 0.99998
0.99999 0.99996 0.99998 1.00000 0.99997
1.00001 1.00000 1.00001 1.00000 1.00006
1.00000 1.00001 0.99999 1.00000 1.00001
1.00000 1.00000 1.00000 1.00003 1.00001
0.99997 1.00000 1.00002 1.00001 0.99999
1.00001 0.99999 1.00002 1.00000 0.99999
0.99998 0.99999 1.00001 1.00004 1.00000
0.99998 1.00000 1.00001 1.00003 1.00001
1.00000 1.00002 0.99999 1.00000 0.99999
1.00000 1.00001 1.00004 0.99996 1.00002
1.00002 1.00001 1.00002 1.00002 1.00003
1.00002 1.00001 1.00004 0.99997 1.00002
1.00002 0.99999 1.00002 1.00000 1.00000
0.99997 1.00000 0.99999 1.00000 0.99999
0.99999 1.00001 0.99999 1.00002 1.00000
1.00002 1.00000 0.99998 1.00000 1.00002
1.00001 1.00003 1.00000 1.00000 1.00001
0.99997 1.00001 1.00001 1.00002 1.00003
1.00005 1.00001 0.99999 1.00002 1.00002
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> 2402091305182111772.eigenfacs
Openam> file on opening on unit 10:
2402091305182111772.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402091305182111772.atom
Openam> file on opening on unit 11:
2402091305182111772.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 = 139
First residue number = -7
Last residue number = 131
Number of atoms found = 1207
Mean number per residue = 8.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9851E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9860E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2136E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.027
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 25.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 30.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 31.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 32.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 33.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 34.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 35.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 36.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 36.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 37.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 37.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 38.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 39.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 40.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 41.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 42.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 43.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 44.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 45.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 46.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 47.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 47.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 48.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 49.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 50.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 51.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 54.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 55.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 55.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 55.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 57.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 59.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 60.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 62.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 63.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 63.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 64.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 66.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 66.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 67.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 68.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 69.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 70.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 73.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 74.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 75.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 76.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 77.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 78.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 78.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 80.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 81.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 82.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 82.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 83.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 85.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 85.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 87.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 88.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 88.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 89.67
Bfactors> 106 vectors, 3621 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 : 0.072136
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= 0.603 for 160 C-alpha atoms.
Bfactors> = 0.398 +/- 2.91
Bfactors> = 12.069 +/- 3.40
Bfactors> Shiftng-fct= 11.670
Bfactors> Scaling-fct= 1.171
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402091305182111772 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=0
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=100
2402091305182111772.eigenfacs
2402091305182111772.atom
making animated gifs
11 models are in 2402091305182111772.7.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 2402091305182111772.7.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 2402091305182111772.7.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 2402091305182111772 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=0
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=100
2402091305182111772.eigenfacs
2402091305182111772.atom
making animated gifs
11 models are in 2402091305182111772.8.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 2402091305182111772.8.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 2402091305182111772.8.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 2402091305182111772 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=0
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=100
2402091305182111772.eigenfacs
2402091305182111772.atom
making animated gifs
11 models are in 2402091305182111772.9.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 2402091305182111772.9.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 2402091305182111772.9.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 2402091305182111772 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=0
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=100
2402091305182111772.eigenfacs
2402091305182111772.atom
making animated gifs
11 models are in 2402091305182111772.10.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 2402091305182111772.10.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 2402091305182111772.10.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 2402091305182111772 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=-20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=0
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=20
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=40
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=60
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=80
2402091305182111772.eigenfacs
2402091305182111772.atom
calculating perturbed structure for DQ=100
2402091305182111772.eigenfacs
2402091305182111772.atom
making animated gifs
11 models are in 2402091305182111772.11.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 2402091305182111772.11.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 2402091305182111772.11.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
2402091305182111772.10.pdb
2402091305182111772.11.pdb
2402091305182111772.7.pdb
2402091305182111772.8.pdb
2402091305182111772.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.437s
user 0m8.421s
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: 2402091305182111772.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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