*** ROMORO ***
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 = 240415171241475139.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 240415171241475139.atom to be opened.
Openam> File opened: 240415171241475139.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 = 247
First residue number = 306
Last residue number = 552
Number of atoms found = 1966
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 22.529081 +/- 9.839465 From: -1.351000 To: 47.382000
= 5.338222 +/- 10.657270 From: -22.564000 To: 32.099000
= 21.790617 +/- 11.955289 From: -7.482000 To: 47.742000
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 3.9322 % Filled.
Pdbmat> 684050 non-zero elements.
Pdbmat> 74706 atom-atom interactions.
Pdbmat> Number per atom= 76.00 +/- 21.65
Maximum number = 127
Minimum number = 18
Pdbmat> Matrix trace = 1.494120E+06
Pdbmat> Larger element = 490.378
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
247 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 = 240415171241475139.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 240415171241475139.atom to be opened.
Openam> file on opening on unit 11:
240415171241475139.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1966 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> 247 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 14
Blocpdb> 15 atoms in block 3
Block first atom: 28
Blocpdb> 13 atoms in block 4
Block first atom: 43
Blocpdb> 17 atoms in block 5
Block first atom: 56
Blocpdb> 13 atoms in block 6
Block first atom: 73
Blocpdb> 13 atoms in block 7
Block first atom: 86
Blocpdb> 16 atoms in block 8
Block first atom: 99
Blocpdb> 14 atoms in block 9
Block first atom: 115
Blocpdb> 14 atoms in block 10
Block first atom: 129
Blocpdb> 16 atoms in block 11
Block first atom: 143
Blocpdb> 18 atoms in block 12
Block first atom: 159
Blocpdb> 21 atoms in block 13
Block first atom: 177
Blocpdb> 15 atoms in block 14
Block first atom: 198
Blocpdb> 18 atoms in block 15
Block first atom: 213
Blocpdb> 18 atoms in block 16
Block first atom: 231
Blocpdb> 15 atoms in block 17
Block first atom: 249
Blocpdb> 11 atoms in block 18
Block first atom: 264
Blocpdb> 16 atoms in block 19
Block first atom: 275
Blocpdb> 12 atoms in block 20
Block first atom: 291
Blocpdb> 15 atoms in block 21
Block first atom: 303
Blocpdb> 16 atoms in block 22
Block first atom: 318
Blocpdb> 13 atoms in block 23
Block first atom: 334
Blocpdb> 20 atoms in block 24
Block first atom: 347
Blocpdb> 15 atoms in block 25
Block first atom: 367
Blocpdb> 18 atoms in block 26
Block first atom: 382
Blocpdb> 16 atoms in block 27
Block first atom: 400
Blocpdb> 19 atoms in block 28
Block first atom: 416
Blocpdb> 20 atoms in block 29
Block first atom: 435
Blocpdb> 14 atoms in block 30
Block first atom: 455
Blocpdb> 15 atoms in block 31
Block first atom: 469
Blocpdb> 15 atoms in block 32
Block first atom: 484
Blocpdb> 15 atoms in block 33
Block first atom: 499
Blocpdb> 18 atoms in block 34
Block first atom: 514
Blocpdb> 17 atoms in block 35
Block first atom: 532
Blocpdb> 17 atoms in block 36
Block first atom: 549
Blocpdb> 16 atoms in block 37
Block first atom: 566
Blocpdb> 15 atoms in block 38
Block first atom: 582
Blocpdb> 19 atoms in block 39
Block first atom: 597
Blocpdb> 17 atoms in block 40
Block first atom: 616
Blocpdb> 16 atoms in block 41
Block first atom: 633
Blocpdb> 16 atoms in block 42
Block first atom: 649
Blocpdb> 12 atoms in block 43
Block first atom: 665
Blocpdb> 21 atoms in block 44
Block first atom: 677
Blocpdb> 17 atoms in block 45
Block first atom: 698
Blocpdb> 17 atoms in block 46
Block first atom: 715
Blocpdb> 17 atoms in block 47
Block first atom: 732
Blocpdb> 13 atoms in block 48
Block first atom: 749
Blocpdb> 16 atoms in block 49
Block first atom: 762
Blocpdb> 16 atoms in block 50
Block first atom: 778
Blocpdb> 15 atoms in block 51
Block first atom: 794
Blocpdb> 16 atoms in block 52
Block first atom: 809
Blocpdb> 16 atoms in block 53
Block first atom: 825
Blocpdb> 19 atoms in block 54
Block first atom: 841
Blocpdb> 13 atoms in block 55
Block first atom: 860
Blocpdb> 15 atoms in block 56
Block first atom: 873
Blocpdb> 16 atoms in block 57
Block first atom: 888
Blocpdb> 12 atoms in block 58
Block first atom: 904
Blocpdb> 16 atoms in block 59
Block first atom: 916
Blocpdb> 19 atoms in block 60
Block first atom: 932
Blocpdb> 16 atoms in block 61
Block first atom: 951
Blocpdb> 16 atoms in block 62
Block first atom: 967
Blocpdb> 12 atoms in block 63
Block first atom: 983
Blocpdb> 12 atoms in block 64
Block first atom: 995
Blocpdb> 22 atoms in block 65
Block first atom: 1007
Blocpdb> 19 atoms in block 66
Block first atom: 1029
Blocpdb> 16 atoms in block 67
Block first atom: 1048
Blocpdb> 17 atoms in block 68
Block first atom: 1064
Blocpdb> 13 atoms in block 69
Block first atom: 1081
Blocpdb> 20 atoms in block 70
Block first atom: 1094
Blocpdb> 13 atoms in block 71
Block first atom: 1114
Blocpdb> 17 atoms in block 72
Block first atom: 1127
Blocpdb> 14 atoms in block 73
Block first atom: 1144
Blocpdb> 16 atoms in block 74
Block first atom: 1158
Blocpdb> 16 atoms in block 75
Block first atom: 1174
Blocpdb> 10 atoms in block 76
Block first atom: 1190
Blocpdb> 19 atoms in block 77
Block first atom: 1200
Blocpdb> 18 atoms in block 78
Block first atom: 1219
Blocpdb> 14 atoms in block 79
Block first atom: 1237
Blocpdb> 13 atoms in block 80
Block first atom: 1251
Blocpdb> 17 atoms in block 81
Block first atom: 1264
Blocpdb> 14 atoms in block 82
Block first atom: 1281
Blocpdb> 18 atoms in block 83
Block first atom: 1295
Blocpdb> 17 atoms in block 84
Block first atom: 1313
Blocpdb> 18 atoms in block 85
Block first atom: 1330
Blocpdb> 21 atoms in block 86
Block first atom: 1348
Blocpdb> 15 atoms in block 87
Block first atom: 1369
Blocpdb> 17 atoms in block 88
Block first atom: 1384
Blocpdb> 15 atoms in block 89
Block first atom: 1401
Blocpdb> 15 atoms in block 90
Block first atom: 1416
Blocpdb> 16 atoms in block 91
Block first atom: 1431
Blocpdb> 18 atoms in block 92
Block first atom: 1447
Blocpdb> 13 atoms in block 93
Block first atom: 1465
Blocpdb> 14 atoms in block 94
Block first atom: 1478
Blocpdb> 12 atoms in block 95
Block first atom: 1492
Blocpdb> 15 atoms in block 96
Block first atom: 1504
Blocpdb> 18 atoms in block 97
Block first atom: 1519
Blocpdb> 19 atoms in block 98
Block first atom: 1537
Blocpdb> 20 atoms in block 99
Block first atom: 1556
Blocpdb> 13 atoms in block 100
Block first atom: 1576
Blocpdb> 17 atoms in block 101
Block first atom: 1589
Blocpdb> 16 atoms in block 102
Block first atom: 1606
Blocpdb> 16 atoms in block 103
Block first atom: 1622
Blocpdb> 16 atoms in block 104
Block first atom: 1638
Blocpdb> 19 atoms in block 105
Block first atom: 1654
Blocpdb> 18 atoms in block 106
Block first atom: 1673
Blocpdb> 14 atoms in block 107
Block first atom: 1691
Blocpdb> 13 atoms in block 108
Block first atom: 1705
Blocpdb> 17 atoms in block 109
Block first atom: 1718
Blocpdb> 18 atoms in block 110
Block first atom: 1735
Blocpdb> 18 atoms in block 111
Block first atom: 1753
Blocpdb> 17 atoms in block 112
Block first atom: 1771
Blocpdb> 15 atoms in block 113
Block first atom: 1788
Blocpdb> 15 atoms in block 114
Block first atom: 1803
Blocpdb> 14 atoms in block 115
Block first atom: 1818
Blocpdb> 20 atoms in block 116
Block first atom: 1832
Blocpdb> 16 atoms in block 117
Block first atom: 1852
Blocpdb> 16 atoms in block 118
Block first atom: 1868
Blocpdb> 17 atoms in block 119
Block first atom: 1884
Blocpdb> 16 atoms in block 120
Block first atom: 1901
Blocpdb> 15 atoms in block 121
Block first atom: 1917
Blocpdb> 19 atoms in block 122
Block first atom: 1932
Blocpdb> 16 atoms in block 123
Block first atom: 1950
Blocpdb> 123 blocks.
Blocpdb> At most, 22 atoms in each of them.
Blocpdb> At least, 10 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> 684173 matrix lines read.
Prepmat> Matrix order = 5898
Prepmat> Matrix trace = 1494120.0000
Prepmat> Last element read: 5898 5898 34.6774
Prepmat> 7627 lines saved.
Prepmat> 6381 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: 1966
RTB> Total mass = 1966.0000
RTB> Number of atoms found in matrix: 1966
RTB> Number of blocks = 123
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 155019.2629
RTB> 42975 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 = 738
Diagstd> Nb of non-zero elements: 42975
Diagstd> Projected matrix trace = 155019.2629
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 738 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 155019.2629
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 0.4299191 0.4605654 1.8048404 2.0857747
2.5478277 3.3251107 4.2208214 4.6334444 4.9340586
6.8454171 7.4157022 7.6008687 8.4712452 9.1911576
9.4811429 10.1847362 10.3398367 11.3661709 12.0906913
12.9640291 13.7283714 14.3343692 15.2828568 16.9863688
17.6755893 18.1966679 18.8427214 20.5139456 21.0298253
22.2896566 22.7604128 23.2226516 24.8943605 25.8791261
26.5444195 27.2526189 28.0341664 28.4617629 29.0216032
30.5031714 31.1347744 32.9162926 33.0560459 34.4448765
34.5268579 34.6044147 36.4364891 37.8799740 38.3756841
39.0731011 39.5062087 40.3596272 41.5159794 42.4561138
42.5276454 43.7403428 44.0062361 45.7213612 46.0194524
46.6198017 47.3768004 48.7342380 49.0958983 50.5022720
51.0989351 51.5935019 52.3014771 52.7807689 53.9991199
54.5685879 55.0994885 55.6988690 56.3618944 57.1985397
57.6726222 58.4356055 59.6077963 61.3163741 61.7584810
62.3636465 62.7544032 63.1495135 63.7772776 64.4095437
65.2380964 65.9769937 66.0615395 67.6209670 68.7742270
69.1336997 69.4909189 70.1576214 71.0561504 71.5511815
72.5650018 72.7338323 73.5487561 74.3297421 74.7089577
75.3082603
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034331 0.0034332 0.0034339 0.0034341
0.0034347 71.2014215 73.6954960 145.8863593 156.8299407
173.3326211 198.0151123 223.0970188 233.7476520 241.2111787
284.1157037 295.7136832 299.3828343 316.0595412 329.2155847
334.3687071 346.5534070 349.1822187 366.1022278 377.5903150
390.9896654 402.3507271 411.1351161 424.5194102 447.5541148
456.5435713 463.2241726 471.3755956 491.8355083 497.9813897
512.6807001 518.0663056 523.3005407 541.8084423 552.4208783
559.4765605 566.8907907 574.9619489 579.3302129 585.0001537
599.7465765 605.9239816 623.0182051 624.3393843 637.3200720
638.0780557 638.7943028 655.4861831 668.3440965 672.7029709
678.7881010 682.5397629 689.8725318 699.6855814 707.5634647
708.1592780 718.1850681 720.3646497 734.2684298 736.6581597
741.4476472 747.4431119 758.0753418 760.8830078 771.7039771
776.2492707 779.9967331 785.3301256 788.9203096 797.9737794
802.1704099 806.0631434 810.4355230 815.2448637 821.2733891
824.6698732 830.1069590 838.3913974 850.3221905 853.3822059
857.5531190 860.2355417 862.9393733 867.2179707 871.5060204
877.0935561 882.0466228 882.6115889 892.9681493 900.5506401
902.9010946 905.2307696 909.5628385 915.3688258 918.5518686
925.0365341 926.1120090 931.2857253 936.2171520 938.6023105
942.3594451
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1966
Rtb_to_modes> Number of blocs = 123
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: 9.9946E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4299
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4606
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.805
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.086
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.548
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.325
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.221
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.633
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.934
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.845
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.416
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.601
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.471
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.191
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.481
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.18
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.96
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.73
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.33
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 16.99
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 18.84
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.03
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 22.29
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.76
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 24.89
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.88
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 26.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 27.25
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 28.03
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 29.02
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 30.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 31.13
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 32.92
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 33.06
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 34.44
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 34.53
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 34.60
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.44
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 37.88
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 39.51
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 40.36
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 41.52
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 42.53
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 43.74
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 44.01
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 45.72
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 46.02
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 46.62
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 47.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 48.73
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 49.10
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.50
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 51.10
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 51.59
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 52.30
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 52.78
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 54.00
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 54.57
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 55.10
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 55.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.36
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 57.20
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 57.67
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 58.44
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 59.61
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 61.32
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 61.76
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 62.36
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 62.75
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 63.15
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.78
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 64.41
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 65.24
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 65.98
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 66.06
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 67.62
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 68.77
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 69.13
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 69.49
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 70.16
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 71.06
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 71.55
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 72.57
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 72.73
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 73.55
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 74.33
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 74.71
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 75.31
Rtb_to_modes> 106 vectors, with 738 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 0.99999 1.00000 0.99999
0.99998 1.00000 0.99997 0.99999 1.00004
1.00000 1.00002 1.00001 1.00002 1.00000
1.00002 0.99997 1.00000 1.00001 1.00001
1.00001 0.99998 1.00000 0.99999 0.99997
1.00000 1.00002 1.00003 1.00001 1.00000
1.00000 1.00003 1.00002 0.99998 1.00000
0.99999 1.00000 1.00003 0.99999 1.00001
1.00001 1.00001 0.99999 0.99999 0.99999
1.00002 0.99998 1.00002 0.99998 1.00000
1.00001 0.99998 1.00002 0.99998 0.99998
1.00000 0.99999 1.00000 0.99997 0.99999
1.00000 1.00002 0.99998 1.00000 1.00000
1.00000 1.00001 1.00000 0.99999 1.00000
0.99998 0.99999 0.99999 1.00002 1.00000
1.00002 0.99999 1.00000 0.99997 0.99999
1.00000 0.99998 0.99999 0.99999 1.00000
0.99998 0.99999 0.99999 1.00001 0.99999
1.00004 1.00002 1.00000 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
0.99999 1.00002 1.00000 0.99998 1.00003
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 35388 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 0.99999 1.00000 0.99999
0.99998 1.00000 0.99997 0.99999 1.00004
1.00000 1.00002 1.00001 1.00002 1.00000
1.00002 0.99997 1.00000 1.00001 1.00001
1.00001 0.99998 1.00000 0.99999 0.99997
1.00000 1.00002 1.00003 1.00001 1.00000
1.00000 1.00003 1.00002 0.99998 1.00000
0.99999 1.00000 1.00003 0.99999 1.00001
1.00001 1.00001 0.99999 0.99999 0.99999
1.00002 0.99998 1.00002 0.99998 1.00000
1.00001 0.99998 1.00002 0.99998 0.99998
1.00000 0.99999 1.00000 0.99997 0.99999
1.00000 1.00002 0.99998 1.00000 1.00000
1.00000 1.00001 1.00000 0.99999 1.00000
0.99998 0.99999 0.99999 1.00002 1.00000
1.00002 0.99999 1.00000 0.99997 0.99999
1.00000 0.99998 0.99999 0.99999 1.00000
0.99998 0.99999 0.99999 1.00001 0.99999
1.00004 1.00002 1.00000 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
0.99999 1.00002 1.00000 0.99998 1.00003
0.99998
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000-0.000 0.000 0.000
Vector 6:-0.000 0.000-0.000 0.000 0.000
Vector 7: 0.000-0.000-0.000 0.000-0.000 0.000
Vector 8:-0.000 0.000 0.000 0.000 0.000-0.000 0.000
Vector 9: 0.000-0.000 0.000-0.000-0.000 0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415171241475139.eigenfacs
Openam> file on opening on unit 10:
240415171241475139.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415171241475139.atom
Openam> file on opening on unit 11:
240415171241475139.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 = 247
First residue number = 306
Last residue number = 552
Number of atoms found = 1966
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9946E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-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: 0.4299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 18.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 22.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 24.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 26.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 27.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 28.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 29.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 30.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 31.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 32.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 33.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 34.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 34.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 34.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 37.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 39.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 40.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 41.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 42.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 43.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 44.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 45.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 46.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 46.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 47.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 48.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 49.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 51.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 51.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 52.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 52.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 54.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 54.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 55.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 55.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 57.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 57.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 58.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 59.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 61.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 61.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 62.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 62.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 63.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 64.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 65.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 65.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 66.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 67.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 68.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 69.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 69.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 70.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 71.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 71.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 72.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 72.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 73.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 74.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 74.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 75.31
Bfactors> 106 vectors, 5898 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 : 0.429900
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= 0.371 for 246 C-alpha atoms.
Bfactors> = 0.070 +/- 0.29
Bfactors> = 39.499 +/- 13.63
Bfactors> Shiftng-fct= 39.429
Bfactors> Scaling-fct= 47.676
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415171241475139 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=0
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=100
240415171241475139.eigenfacs
240415171241475139.atom
making animated gifs
11 models are in 240415171241475139.7.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 240415171241475139.7.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 240415171241475139.7.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 240415171241475139 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=0
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=100
240415171241475139.eigenfacs
240415171241475139.atom
making animated gifs
11 models are in 240415171241475139.8.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 240415171241475139.8.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 240415171241475139.8.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 240415171241475139 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=0
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=100
240415171241475139.eigenfacs
240415171241475139.atom
making animated gifs
11 models are in 240415171241475139.9.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 240415171241475139.9.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 240415171241475139.9.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 240415171241475139 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=0
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=100
240415171241475139.eigenfacs
240415171241475139.atom
making animated gifs
11 models are in 240415171241475139.10.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 240415171241475139.10.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 240415171241475139.10.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 240415171241475139 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=-20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=0
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=20
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=40
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=60
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=80
240415171241475139.eigenfacs
240415171241475139.atom
calculating perturbed structure for DQ=100
240415171241475139.eigenfacs
240415171241475139.atom
making animated gifs
11 models are in 240415171241475139.11.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 240415171241475139.11.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 240415171241475139.11.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
240415171241475139.10.pdb
240415171241475139.11.pdb
240415171241475139.7.pdb
240415171241475139.8.pdb
240415171241475139.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.257s
user 0m7.241s
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: 240415171241475139.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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