*** 6y7f_apo ***
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 = 2402150026362836896.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 2402150026362836896.atom to be opened.
Openam> File opened: 2402150026362836896.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 = 254
First residue number = 16
Last residue number = 269
Number of atoms found = 2127
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= 18.522480 +/- 9.757482 From: -2.154000 To: 44.431000
= 36.253495 +/- 9.434463 From: 12.005000 To: 63.771000
= 16.511024 +/- 13.318132 From: -13.047000 To: 46.783000
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 3.9109 % Filled.
Pdbmat> 796322 non-zero elements.
Pdbmat> 87075 atom-atom interactions.
Pdbmat> Number per atom= 81.88 +/- 21.75
Maximum number = 137
Minimum number = 17
Pdbmat> Matrix trace = 1.741500E+06
Pdbmat> Larger element = 490.519
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
254 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 = 2402150026362836896.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 2402150026362836896.atom to be opened.
Openam> file on opening on unit 11:
2402150026362836896.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2127 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> 254 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 10 atoms in block 2
Block first atom: 20
Blocpdb> 13 atoms in block 3
Block first atom: 30
Blocpdb> 15 atoms in block 4
Block first atom: 43
Blocpdb> 18 atoms in block 5
Block first atom: 58
Blocpdb> 13 atoms in block 6
Block first atom: 76
Blocpdb> 22 atoms in block 7
Block first atom: 89
Blocpdb> 16 atoms in block 8
Block first atom: 111
Blocpdb> 12 atoms in block 9
Block first atom: 127
Blocpdb> 15 atoms in block 10
Block first atom: 139
Blocpdb> 16 atoms in block 11
Block first atom: 154
Blocpdb> 15 atoms in block 12
Block first atom: 170
Blocpdb> 16 atoms in block 13
Block first atom: 185
Blocpdb> 15 atoms in block 14
Block first atom: 201
Blocpdb> 19 atoms in block 15
Block first atom: 216
Blocpdb> 23 atoms in block 16
Block first atom: 235
Blocpdb> 14 atoms in block 17
Block first atom: 258
Blocpdb> 14 atoms in block 18
Block first atom: 272
Blocpdb> 11 atoms in block 19
Block first atom: 286
Blocpdb> 13 atoms in block 20
Block first atom: 297
Blocpdb> 13 atoms in block 21
Block first atom: 310
Blocpdb> 19 atoms in block 22
Block first atom: 323
Blocpdb> 16 atoms in block 23
Block first atom: 342
Blocpdb> 20 atoms in block 24
Block first atom: 358
Blocpdb> 17 atoms in block 25
Block first atom: 378
Blocpdb> 11 atoms in block 26
Block first atom: 395
Blocpdb> 16 atoms in block 27
Block first atom: 406
Blocpdb> 19 atoms in block 28
Block first atom: 422
Blocpdb> 19 atoms in block 29
Block first atom: 441
Blocpdb> 19 atoms in block 30
Block first atom: 460
Blocpdb> 15 atoms in block 31
Block first atom: 479
Blocpdb> 17 atoms in block 32
Block first atom: 494
Blocpdb> 19 atoms in block 33
Block first atom: 511
Blocpdb> 14 atoms in block 34
Block first atom: 530
Blocpdb> 21 atoms in block 35
Block first atom: 544
Blocpdb> 18 atoms in block 36
Block first atom: 565
Blocpdb> 14 atoms in block 37
Block first atom: 583
Blocpdb> 18 atoms in block 38
Block first atom: 597
Blocpdb> 12 atoms in block 39
Block first atom: 615
Blocpdb> 16 atoms in block 40
Block first atom: 627
Blocpdb> 17 atoms in block 41
Block first atom: 643
Blocpdb> 14 atoms in block 42
Block first atom: 660
Blocpdb> 16 atoms in block 43
Block first atom: 674
Blocpdb> 15 atoms in block 44
Block first atom: 690
Blocpdb> 18 atoms in block 45
Block first atom: 705
Blocpdb> 17 atoms in block 46
Block first atom: 723
Blocpdb> 14 atoms in block 47
Block first atom: 740
Blocpdb> 13 atoms in block 48
Block first atom: 754
Blocpdb> 19 atoms in block 49
Block first atom: 767
Blocpdb> 16 atoms in block 50
Block first atom: 786
Blocpdb> 13 atoms in block 51
Block first atom: 802
Blocpdb> 22 atoms in block 52
Block first atom: 815
Blocpdb> 24 atoms in block 53
Block first atom: 837
Blocpdb> 17 atoms in block 54
Block first atom: 861
Blocpdb> 20 atoms in block 55
Block first atom: 878
Blocpdb> 17 atoms in block 56
Block first atom: 898
Blocpdb> 16 atoms in block 57
Block first atom: 915
Blocpdb> 15 atoms in block 58
Block first atom: 931
Blocpdb> 19 atoms in block 59
Block first atom: 946
Blocpdb> 18 atoms in block 60
Block first atom: 965
Blocpdb> 19 atoms in block 61
Block first atom: 983
Blocpdb> 18 atoms in block 62
Block first atom: 1002
Blocpdb> 14 atoms in block 63
Block first atom: 1020
Blocpdb> 16 atoms in block 64
Block first atom: 1034
Blocpdb> 18 atoms in block 65
Block first atom: 1050
Blocpdb> 18 atoms in block 66
Block first atom: 1068
Blocpdb> 18 atoms in block 67
Block first atom: 1086
Blocpdb> 20 atoms in block 68
Block first atom: 1104
Blocpdb> 15 atoms in block 69
Block first atom: 1124
Blocpdb> 15 atoms in block 70
Block first atom: 1139
Blocpdb> 21 atoms in block 71
Block first atom: 1154
Blocpdb> 28 atoms in block 72
Block first atom: 1175
Blocpdb> 15 atoms in block 73
Block first atom: 1203
Blocpdb> 16 atoms in block 74
Block first atom: 1218
Blocpdb> 16 atoms in block 75
Block first atom: 1234
Blocpdb> 9 atoms in block 76
Block first atom: 1250
Blocpdb> 12 atoms in block 77
Block first atom: 1259
Blocpdb> 11 atoms in block 78
Block first atom: 1271
Blocpdb> 21 atoms in block 79
Block first atom: 1282
Blocpdb> 13 atoms in block 80
Block first atom: 1303
Blocpdb> 16 atoms in block 81
Block first atom: 1316
Blocpdb> 12 atoms in block 82
Block first atom: 1332
Blocpdb> 17 atoms in block 83
Block first atom: 1344
Blocpdb> 14 atoms in block 84
Block first atom: 1361
Blocpdb> 20 atoms in block 85
Block first atom: 1375
Blocpdb> 18 atoms in block 86
Block first atom: 1395
Blocpdb> 16 atoms in block 87
Block first atom: 1413
Blocpdb> 17 atoms in block 88
Block first atom: 1429
Blocpdb> 13 atoms in block 89
Block first atom: 1446
Blocpdb> 11 atoms in block 90
Block first atom: 1459
Blocpdb> 17 atoms in block 91
Block first atom: 1470
Blocpdb> 14 atoms in block 92
Block first atom: 1487
Blocpdb> 20 atoms in block 93
Block first atom: 1501
Blocpdb> 28 atoms in block 94
Block first atom: 1521
Blocpdb> 18 atoms in block 95
Block first atom: 1549
Blocpdb> 20 atoms in block 96
Block first atom: 1567
Blocpdb> 13 atoms in block 97
Block first atom: 1587
Blocpdb> 17 atoms in block 98
Block first atom: 1600
Blocpdb> 15 atoms in block 99
Block first atom: 1617
Blocpdb> 20 atoms in block 100
Block first atom: 1632
Blocpdb> 15 atoms in block 101
Block first atom: 1652
Blocpdb> 12 atoms in block 102
Block first atom: 1667
Blocpdb> 18 atoms in block 103
Block first atom: 1679
Blocpdb> 14 atoms in block 104
Block first atom: 1697
Blocpdb> 20 atoms in block 105
Block first atom: 1711
Blocpdb> 22 atoms in block 106
Block first atom: 1731
Blocpdb> 17 atoms in block 107
Block first atom: 1753
Blocpdb> 14 atoms in block 108
Block first atom: 1770
Blocpdb> 19 atoms in block 109
Block first atom: 1784
Blocpdb> 20 atoms in block 110
Block first atom: 1803
Blocpdb> 14 atoms in block 111
Block first atom: 1823
Blocpdb> 16 atoms in block 112
Block first atom: 1837
Blocpdb> 14 atoms in block 113
Block first atom: 1853
Blocpdb> 16 atoms in block 114
Block first atom: 1867
Blocpdb> 21 atoms in block 115
Block first atom: 1883
Blocpdb> 17 atoms in block 116
Block first atom: 1904
Blocpdb> 19 atoms in block 117
Block first atom: 1921
Blocpdb> 16 atoms in block 118
Block first atom: 1940
Blocpdb> 19 atoms in block 119
Block first atom: 1956
Blocpdb> 18 atoms in block 120
Block first atom: 1975
Blocpdb> 25 atoms in block 121
Block first atom: 1993
Blocpdb> 23 atoms in block 122
Block first atom: 2018
Blocpdb> 17 atoms in block 123
Block first atom: 2041
Blocpdb> 22 atoms in block 124
Block first atom: 2058
Blocpdb> 13 atoms in block 125
Block first atom: 2080
Blocpdb> 19 atoms in block 126
Block first atom: 2093
Blocpdb> 16 atoms in block 127
Block first atom: 2111
Blocpdb> 127 blocks.
Blocpdb> At most, 28 atoms in each of them.
Blocpdb> At least, 9 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> 796449 matrix lines read.
Prepmat> Matrix order = 6381
Prepmat> Matrix trace = 1741500.0000
Prepmat> Last element read: 6381 6381 72.1964
Prepmat> 8129 lines saved.
Prepmat> 6810 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: 2127
RTB> Total mass = 2127.0000
RTB> Number of atoms found in matrix: 2127
RTB> Number of blocks = 127
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 174254.8823
RTB> 45543 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 = 762
Diagstd> Nb of non-zero elements: 45543
Diagstd> Projected matrix trace = 174254.8823
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 762 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 174254.8823
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 2.9631919 4.0723287 4.9288917 6.5808368
7.7015136 8.1950709 8.8854263 9.5295383 10.7699891
11.2015426 12.9161922 13.6716290 14.0292101 14.5812508
15.2567573 15.7836470 17.4263686 17.8234114 19.6562896
20.4409649 21.5885004 21.9426961 22.6654740 23.6139920
25.0546951 25.8290782 27.5295046 27.9341310 28.9207503
30.7238393 31.1047117 31.3226039 32.2379821 32.7423004
34.8354241 35.0906399 36.2702926 36.4967441 38.1487318
39.3520584 40.1543072 41.0201774 41.8094540 42.3453744
42.4642107 43.0018367 45.0210539 45.8780520 46.7723598
47.1973157 48.8944966 49.1552781 50.2927438 50.7384744
51.7893670 52.5965517 53.6993743 54.8752581 55.9270460
56.5883201 57.5647578 58.3132492 58.9424215 59.5313707
60.0838536 61.1911968 61.8748592 62.2278319 63.8609063
64.0860881 64.6205638 65.8395436 66.3942362 66.7606213
68.7275129 69.0809494 70.0950862 70.5840271 71.5546449
72.0710954 72.9137797 73.9383039 74.7494151 74.9368740
75.8858460 76.6192710 77.1766447 78.5028144 79.4220417
80.5587381 81.3004140 81.7364920 82.0073424 82.8336751
84.2158358 84.9918529 86.0933003 86.4954580 87.2358315
87.4988851
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034331 0.0034332 0.0034336 0.0034338
0.0034354 186.9283478 219.1374938 241.0848486 278.5709588
301.3584160 310.8648644 323.6938245 335.2209944 356.3714569
363.4412326 390.2676282 401.5183635 406.7353232 414.6605027
424.1567664 431.4186945 453.3135782 458.4486477 481.4443018
490.9598491 504.5526811 508.6748606 516.9846912 527.6913634
543.5504273 551.8864528 569.7633091 573.9352019 583.9828025
601.9120294 605.6313814 607.7489393 616.5654791 621.3694176
640.9229624 643.2664841 653.9895516 656.0279476 670.7108517
681.2068514 688.1155133 695.4950563 702.1542488 706.6400838
707.6309316 712.0963882 728.6233900 735.5255522 742.6598080
746.0259420 759.3207530 761.3429999 770.1014570 773.5065269
781.4758862 787.5423485 795.7559470 804.4213125 812.0938488
816.8807863 823.8983271 829.2374371 833.6989740 837.8537570
841.7326432 849.4537814 854.1858878 856.6188266 867.7863588
869.3149762 872.9324772 881.1273588 884.8312857 887.2693206
900.2447435 902.5565642 909.1573780 912.3227331 918.5740996
921.8830751 927.2569264 933.7487256 938.8564183 940.0329277
945.9663117 950.5266286 953.9777092 962.1391656 967.7558472
974.6565543 979.1329343 981.7553521 983.3806294 988.3226429
996.5340948 1001.1149085 1007.5809744 1009.9315311 1014.2446668
1015.7727082
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2127
Rtb_to_modes> Number of blocs = 127
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: 9.9926E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.963
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.072
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.929
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.581
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.702
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.195
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.885
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.530
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.77
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.67
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 14.03
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.58
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.26
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.78
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.43
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.82
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.66
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 23.61
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.05
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 25.83
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.53
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.92
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.72
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.32
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.24
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 32.74
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.84
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 35.09
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.50
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 38.15
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 39.35
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.15
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 41.02
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 42.35
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 45.02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 45.88
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 46.77
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.20
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 49.16
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 50.29
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 50.74
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 51.79
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 52.60
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 53.70
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 54.88
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 55.93
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 56.59
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 57.56
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 58.31
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 58.94
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 59.53
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 60.08
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 61.19
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 61.87
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 62.23
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 63.86
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 64.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 64.62
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 65.84
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 66.39
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 66.76
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 68.73
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 69.08
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 70.10
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 70.58
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 71.55
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 72.07
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 72.91
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 73.94
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 74.75
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 74.94
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 75.89
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 76.62
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 77.18
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 78.50
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 79.42
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 80.56
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 81.30
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 81.74
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 82.01
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 82.83
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 84.22
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 84.99
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 86.09
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 86.50
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 87.24
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 87.50
Rtb_to_modes> 106 vectors, with 762 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 0.99998 1.00000 0.99999 1.00002
1.00004 0.99999 1.00001 0.99997 1.00000
1.00001 1.00001 1.00001 1.00001 1.00001
1.00002 0.99999 0.99999 1.00000 0.99998
0.99999 1.00000 1.00002 1.00003 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00002 1.00003 1.00000 0.99999 1.00003
1.00001 0.99999 1.00001 1.00002 1.00000
1.00002 1.00000 1.00000 1.00001 1.00002
1.00000 1.00003 1.00000 0.99998 1.00001
0.99998 1.00000 1.00000 0.99998 1.00001
1.00002 1.00000 0.99998 1.00001 1.00001
1.00000 0.99999 1.00002 1.00002 1.00000
0.99998 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 1.00002 1.00000 1.00001
1.00002 0.99998 1.00003 1.00002 1.00002
0.99999 0.99999 0.99999 1.00002 0.99999
0.99999 0.99997 1.00001 0.99998 0.99999
1.00002 0.99999 0.99999 0.99999 1.00002
1.00001 1.00002 1.00002 1.00001 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 38286 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 0.99998 1.00000 0.99999 1.00002
1.00004 0.99999 1.00001 0.99997 1.00000
1.00001 1.00001 1.00001 1.00001 1.00001
1.00002 0.99999 0.99999 1.00000 0.99998
0.99999 1.00000 1.00002 1.00003 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00002 1.00003 1.00000 0.99999 1.00003
1.00001 0.99999 1.00001 1.00002 1.00000
1.00002 1.00000 1.00000 1.00001 1.00002
1.00000 1.00003 1.00000 0.99998 1.00001
0.99998 1.00000 1.00000 0.99998 1.00001
1.00002 1.00000 0.99998 1.00001 1.00001
1.00000 0.99999 1.00002 1.00002 1.00000
0.99998 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 1.00002 1.00000 1.00001
1.00002 0.99998 1.00003 1.00002 1.00002
0.99999 0.99999 0.99999 1.00002 0.99999
0.99999 0.99997 1.00001 0.99998 0.99999
1.00002 0.99999 0.99999 0.99999 1.00002
1.00001 1.00002 1.00002 1.00001 1.00001
1.00002
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> 2402150026362836896.eigenfacs
Openam> file on opening on unit 10:
2402150026362836896.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402150026362836896.atom
Openam> file on opening on unit 11:
2402150026362836896.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 = 254
First residue number = 16
Last residue number = 269
Number of atoms found = 2127
Mean number per residue = 8.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.885
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 23.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 25.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 32.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 35.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 38.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 39.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 41.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 42.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 45.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 45.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 46.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 49.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 50.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 50.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 51.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 52.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 53.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 54.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 55.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 56.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 57.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 58.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 58.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 59.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 60.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 61.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 61.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 62.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 63.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 64.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 64.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 65.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 66.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 66.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 68.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 69.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 70.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 70.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 71.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 72.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 72.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 73.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 74.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 74.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 75.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 76.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 77.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 78.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 79.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 80.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 81.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 81.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 82.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 82.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 84.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 84.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 86.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 86.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 87.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 87.50
Bfactors> 106 vectors, 6381 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 : 2.963000
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= 0.750 for 257 C-alpha atoms.
Bfactors> = 0.025 +/- 0.03
Bfactors> = 38.437 +/- 10.45
Bfactors> Shiftng-fct= 38.412
Bfactors> Scaling-fct= 386.774
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402150026362836896 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=0
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=100
2402150026362836896.eigenfacs
2402150026362836896.atom
making animated gifs
11 models are in 2402150026362836896.7.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 2402150026362836896.7.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 2402150026362836896.7.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 2402150026362836896 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=0
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=100
2402150026362836896.eigenfacs
2402150026362836896.atom
making animated gifs
11 models are in 2402150026362836896.8.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 2402150026362836896.8.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 2402150026362836896.8.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 2402150026362836896 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=0
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=100
2402150026362836896.eigenfacs
2402150026362836896.atom
making animated gifs
11 models are in 2402150026362836896.9.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 2402150026362836896.9.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 2402150026362836896.9.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 2402150026362836896 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=0
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=100
2402150026362836896.eigenfacs
2402150026362836896.atom
making animated gifs
11 models are in 2402150026362836896.10.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 2402150026362836896.10.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 2402150026362836896.10.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 2402150026362836896 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=-20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=0
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=20
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=40
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=60
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=80
2402150026362836896.eigenfacs
2402150026362836896.atom
calculating perturbed structure for DQ=100
2402150026362836896.eigenfacs
2402150026362836896.atom
making animated gifs
11 models are in 2402150026362836896.11.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 2402150026362836896.11.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 2402150026362836896.11.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
2402150026362836896.10.pdb
2402150026362836896.11.pdb
2402150026362836896.7.pdb
2402150026362836896.8.pdb
2402150026362836896.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.218s
user 0m8.156s
sys 0m0.036s
../../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: 2402150026362836896.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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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
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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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