*** B ***
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 = 240227204658855155.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 240227204658855155.atom to be opened.
Openam> File opened: 240227204658855155.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 = 242
First residue number = 1
Last residue number = 121
Number of atoms found = 2462
Mean number per residue = 10.2
Pdbmat> Coordinate statistics:
= 52.274651 +/- 18.448133 From: 13.800000 To: 92.630000
= 56.069525 +/- 6.342250 From: 36.190000 To: 70.230000
= 52.533761 +/- 10.235427 From: 27.990000 To: 78.440000
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 3.8726 % Filled.
Pdbmat> 1056441 non-zero elements.
Pdbmat> 115926 atom-atom interactions.
Pdbmat> Number per atom= 94.17 +/- 30.67
Maximum number = 160
Minimum number = 13
Pdbmat> Matrix trace = 2.318520E+06
Pdbmat> Larger element = 600.540
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
242 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 = 240227204658855155.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 240227204658855155.atom to be opened.
Openam> file on opening on unit 11:
240227204658855155.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2462 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> 242 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 20
Blocpdb> 14 atoms in block 3
Block first atom: 47
Blocpdb> 22 atoms in block 4
Block first atom: 61
Blocpdb> 18 atoms in block 5
Block first atom: 83
Blocpdb> 22 atoms in block 6
Block first atom: 101
Blocpdb> 14 atoms in block 7
Block first atom: 123
Blocpdb> 24 atoms in block 8
Block first atom: 137
Blocpdb> 13 atoms in block 9
Block first atom: 161
Blocpdb> 21 atoms in block 10
Block first atom: 174
Blocpdb> 23 atoms in block 11
Block first atom: 195
Blocpdb> 24 atoms in block 12
Block first atom: 218
Blocpdb> 12 atoms in block 13
Block first atom: 242
Blocpdb> 18 atoms in block 14
Block first atom: 254
Blocpdb> 13 atoms in block 15
Block first atom: 272
Blocpdb> 14 atoms in block 16
Block first atom: 285
Blocpdb> 22 atoms in block 17
Block first atom: 299
Blocpdb> 20 atoms in block 18
Block first atom: 321
Blocpdb> 22 atoms in block 19
Block first atom: 341
Blocpdb> 15 atoms in block 20
Block first atom: 363
Blocpdb> 26 atoms in block 21
Block first atom: 378
Blocpdb> 14 atoms in block 22
Block first atom: 404
Blocpdb> 26 atoms in block 23
Block first atom: 418
Blocpdb> 27 atoms in block 24
Block first atom: 444
Blocpdb> 14 atoms in block 25
Block first atom: 471
Blocpdb> 31 atoms in block 26
Block first atom: 485
Blocpdb> 22 atoms in block 27
Block first atom: 516
Blocpdb> 14 atoms in block 28
Block first atom: 538
Blocpdb> 18 atoms in block 29
Block first atom: 552
Blocpdb> 20 atoms in block 30
Block first atom: 570
Blocpdb> 22 atoms in block 31
Block first atom: 590
Blocpdb> 35 atoms in block 32
Block first atom: 612
Blocpdb> 26 atoms in block 33
Block first atom: 647
Blocpdb> 29 atoms in block 34
Block first atom: 673
Blocpdb> 22 atoms in block 35
Block first atom: 702
Blocpdb> 22 atoms in block 36
Block first atom: 724
Blocpdb> 17 atoms in block 37
Block first atom: 746
Blocpdb> 12 atoms in block 38
Block first atom: 763
Blocpdb> 21 atoms in block 39
Block first atom: 775
Blocpdb> 18 atoms in block 40
Block first atom: 796
Blocpdb> 16 atoms in block 41
Block first atom: 814
Blocpdb> 23 atoms in block 42
Block first atom: 830
Blocpdb> 16 atoms in block 43
Block first atom: 853
Blocpdb> 17 atoms in block 44
Block first atom: 869
Blocpdb> 22 atoms in block 45
Block first atom: 886
Blocpdb> 14 atoms in block 46
Block first atom: 908
Blocpdb> 15 atoms in block 47
Block first atom: 922
Blocpdb> 16 atoms in block 48
Block first atom: 937
Blocpdb> 27 atoms in block 49
Block first atom: 953
Blocpdb> 20 atoms in block 50
Block first atom: 980
Blocpdb> 14 atoms in block 51
Block first atom: 1000
Blocpdb> 29 atoms in block 52
Block first atom: 1014
Blocpdb> 26 atoms in block 53
Block first atom: 1043
Blocpdb> 35 atoms in block 54
Block first atom: 1069
Blocpdb> 24 atoms in block 55
Block first atom: 1104
Blocpdb> 22 atoms in block 56
Block first atom: 1128
Blocpdb> 24 atoms in block 57
Block first atom: 1150
Blocpdb> 13 atoms in block 58
Block first atom: 1174
Blocpdb> 19 atoms in block 59
Block first atom: 1187
Blocpdb> 16 atoms in block 60
Block first atom: 1206
Blocpdb> 8 atoms in block 61
Block first atom: 1222
Blocpdb> 19 atoms in block 62
Block first atom: 1230
Blocpdb> 27 atoms in block 63
Block first atom: 1249
Blocpdb> 14 atoms in block 64
Block first atom: 1276
Blocpdb> 22 atoms in block 65
Block first atom: 1290
Blocpdb> 18 atoms in block 66
Block first atom: 1312
Blocpdb> 22 atoms in block 67
Block first atom: 1330
Blocpdb> 14 atoms in block 68
Block first atom: 1352
Blocpdb> 24 atoms in block 69
Block first atom: 1366
Blocpdb> 13 atoms in block 70
Block first atom: 1390
Blocpdb> 21 atoms in block 71
Block first atom: 1403
Blocpdb> 23 atoms in block 72
Block first atom: 1424
Blocpdb> 24 atoms in block 73
Block first atom: 1447
Blocpdb> 12 atoms in block 74
Block first atom: 1471
Blocpdb> 18 atoms in block 75
Block first atom: 1483
Blocpdb> 13 atoms in block 76
Block first atom: 1501
Blocpdb> 14 atoms in block 77
Block first atom: 1514
Blocpdb> 22 atoms in block 78
Block first atom: 1528
Blocpdb> 20 atoms in block 79
Block first atom: 1550
Blocpdb> 22 atoms in block 80
Block first atom: 1570
Blocpdb> 15 atoms in block 81
Block first atom: 1592
Blocpdb> 26 atoms in block 82
Block first atom: 1607
Blocpdb> 14 atoms in block 83
Block first atom: 1633
Blocpdb> 26 atoms in block 84
Block first atom: 1647
Blocpdb> 27 atoms in block 85
Block first atom: 1673
Blocpdb> 14 atoms in block 86
Block first atom: 1700
Blocpdb> 31 atoms in block 87
Block first atom: 1714
Blocpdb> 22 atoms in block 88
Block first atom: 1745
Blocpdb> 14 atoms in block 89
Block first atom: 1767
Blocpdb> 18 atoms in block 90
Block first atom: 1781
Blocpdb> 20 atoms in block 91
Block first atom: 1799
Blocpdb> 15 atoms in block 92
Block first atom: 1819
Blocpdb> 35 atoms in block 93
Block first atom: 1834
Blocpdb> 26 atoms in block 94
Block first atom: 1869
Blocpdb> 29 atoms in block 95
Block first atom: 1895
Blocpdb> 22 atoms in block 96
Block first atom: 1924
Blocpdb> 22 atoms in block 97
Block first atom: 1946
Blocpdb> 17 atoms in block 98
Block first atom: 1968
Blocpdb> 12 atoms in block 99
Block first atom: 1985
Blocpdb> 17 atoms in block 100
Block first atom: 1997
Blocpdb> 18 atoms in block 101
Block first atom: 2014
Blocpdb> 16 atoms in block 102
Block first atom: 2032
Blocpdb> 23 atoms in block 103
Block first atom: 2048
Blocpdb> 16 atoms in block 104
Block first atom: 2071
Blocpdb> 17 atoms in block 105
Block first atom: 2087
Blocpdb> 22 atoms in block 106
Block first atom: 2104
Blocpdb> 14 atoms in block 107
Block first atom: 2126
Blocpdb> 15 atoms in block 108
Block first atom: 2140
Blocpdb> 16 atoms in block 109
Block first atom: 2155
Blocpdb> 27 atoms in block 110
Block first atom: 2171
Blocpdb> 20 atoms in block 111
Block first atom: 2198
Blocpdb> 14 atoms in block 112
Block first atom: 2218
Blocpdb> 29 atoms in block 113
Block first atom: 2232
Blocpdb> 26 atoms in block 114
Block first atom: 2261
Blocpdb> 35 atoms in block 115
Block first atom: 2287
Blocpdb> 32 atoms in block 116
Block first atom: 2322
Blocpdb> 22 atoms in block 117
Block first atom: 2354
Blocpdb> 24 atoms in block 118
Block first atom: 2376
Blocpdb> 20 atoms in block 119
Block first atom: 2400
Blocpdb> 19 atoms in block 120
Block first atom: 2420
Blocpdb> 16 atoms in block 121
Block first atom: 2439
Blocpdb> 8 atoms in block 122
Block first atom: 2454
Blocpdb> 122 blocks.
Blocpdb> At most, 35 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1056563 matrix lines read.
Prepmat> Matrix order = 7386
Prepmat> Matrix trace = 2318520.0000
Prepmat> Last element read: 7386 7386 195.0737
Prepmat> 7504 lines saved.
Prepmat> 6247 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: 2462
RTB> Total mass = 2462.0000
RTB> Number of atoms found in matrix: 2462
RTB> Number of blocks = 122
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 190239.2273
RTB> 43375 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 = 732
Diagstd> Nb of non-zero elements: 43375
Diagstd> Projected matrix trace = 190239.2273
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 732 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 190239.2273
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 0.6134989 0.9744050 1.0477361 3.7723780
4.4794836 5.2459458 6.1318800 6.9666559 8.0808230
9.2793173 11.1273160 12.5196035 13.7281210 16.1491316
17.3441166 18.5129048 19.2594867 20.8266438 21.4541651
21.9617664 22.8580797 23.5694514 23.8436331 24.9277974
25.7858551 27.1477101 28.2669420 29.1497649 29.6602653
30.9495242 31.4174354 32.4066381 32.9024226 33.4062576
35.0147890 36.0314732 36.7427207 37.1065016 37.6338953
38.7298456 40.0511314 40.7163035 41.4460429 41.8967179
43.5582870 43.9366962 45.0571159 45.4805305 46.0361645
47.4111616 47.9987158 48.5902319 49.1802251 49.6119524
50.4280177 51.1567999 51.4160597 52.5112169 52.8749784
53.7771382 54.8689740 55.1628712 56.8780314 57.4217047
58.5511203 59.1131489 60.2967486 60.5969874 61.2118556
62.5343505 63.4674826 64.3508310 65.8309945 66.5296054
66.5842056 67.3052925 68.9626870 69.3680049 70.0276104
70.9541925 72.7515770 73.4189596 74.6287072 75.4207352
76.6414075 77.0689921 78.9154911 79.3461697 79.8571415
81.8532611 83.2935825 83.6265442 84.2103139 85.0291981
85.5708567 86.7373648 87.9413501 88.1698975 88.8762071
89.7321669
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034323 0.0034333 0.0034336 0.0034338
0.0034341 85.0554531 107.1926547 111.1530122 210.9127731
229.8313447 248.7179797 268.9008054 286.6206394 308.6903678
330.7907011 362.2350666 384.2293776 402.3470570 436.3850529
452.2424991 467.2319835 476.5600520 495.5699058 502.9804318
508.8958555 519.1766502 527.1934644 530.2509994 542.1721852
551.4244892 565.7986169 577.3440497 586.2904345 591.4020100
604.1186856 608.6682466 618.1761848 622.8869304 627.6379467
642.5708750 651.8329200 658.2349466 661.4854344 666.1696862
675.7999621 687.2308940 692.9141843 699.0959989 702.8866288
716.6888970 719.7952539 728.9151465 732.3320499 736.7919068
747.7141134 752.3329609 756.9544844 761.5361716 764.8714308
771.1364439 776.6886613 778.6542811 786.9032188 789.6240759
796.3319192 804.3752512 806.5266300 818.9691806 822.8739636
830.9270262 834.9055106 843.2225796 845.3193240 849.5971614
858.7259793 865.1091725 871.1087175 881.0701508 885.7328542
886.0962356 890.8813929 901.7836718 904.4298388 908.7196805
914.7118624 926.2249729 930.4636112 938.0980637 943.0629020
950.6639301 953.3121323 964.6647564 967.2934870 970.4030672
982.4563720 991.0625173 993.0414019 996.5014235 1001.3348279
1004.5191492 1011.3428116 1018.3377527 1019.6601537 1023.7361435
1028.6540921
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2462
Rtb_to_modes> Number of blocs = 122
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: 9.9894E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9904E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.6135
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9744
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.048
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.772
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.479
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.246
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.132
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.967
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.081
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.279
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.13
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.52
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.73
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.15
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 17.34
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.51
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 19.26
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 20.83
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.96
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.84
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.79
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 27.15
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 28.27
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 29.15
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.95
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.42
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 32.41
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.90
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.41
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 35.01
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 36.03
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 37.11
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.63
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.73
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.05
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 40.72
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 41.45
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.90
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 43.56
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.94
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 45.06
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 45.48
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 46.04
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.41
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 48.59
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 49.18
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.61
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 50.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 51.16
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 51.42
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 52.51
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 52.87
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 53.78
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.87
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 55.16
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.42
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.55
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 59.11
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 60.30
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.60
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 61.21
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 62.53
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 63.47
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 64.35
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 65.83
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 66.53
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 66.58
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 67.31
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 68.96
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 69.37
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 70.03
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 70.95
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 72.75
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 73.42
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 74.63
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 75.42
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 76.64
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 77.07
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 78.92
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 79.35
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 79.86
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 81.85
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 83.29
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 83.63
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 84.21
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 85.03
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 85.57
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 86.74
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 87.94
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 88.17
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 88.88
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 89.73
Rtb_to_modes> 106 vectors, with 732 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99998 1.00001
0.99999 0.99998 1.00001 1.00000 1.00005
1.00000 0.99999 0.99998 1.00001 1.00001
1.00001 1.00003 0.99999 1.00003 1.00002
1.00002 1.00001 0.99998 1.00001 1.00000
1.00001 1.00001 1.00000 1.00003 1.00002
0.99997 1.00001 0.99999 1.00000 0.99999
1.00001 1.00001 1.00001 0.99998 0.99998
1.00000 1.00004 0.99998 0.99999 1.00000
0.99999 0.99999 1.00001 1.00000 0.99999
1.00001 0.99999 1.00000 1.00001 0.99998
1.00001 1.00000 1.00000 0.99998 1.00000
0.99998 0.99996 1.00000 0.99997 0.99999
1.00001 1.00001 1.00000 1.00003 0.99999
0.99999 0.99999 1.00001 1.00001 0.99999
1.00003 1.00003 1.00001 0.99998 0.99999
0.99999 1.00000 0.99998 0.99996 0.99999
0.99997 1.00001 0.99998 1.00001 1.00001
1.00001 1.00002 1.00000 1.00002 1.00002
1.00000 0.99999 1.00000 1.00000 0.99999
1.00000 0.99998 0.99999 0.99996 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 44316 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99998 1.00001
0.99999 0.99998 1.00001 1.00000 1.00005
1.00000 0.99999 0.99998 1.00001 1.00001
1.00001 1.00003 0.99999 1.00003 1.00002
1.00002 1.00001 0.99998 1.00001 1.00000
1.00001 1.00001 1.00000 1.00003 1.00002
0.99997 1.00001 0.99999 1.00000 0.99999
1.00001 1.00001 1.00001 0.99998 0.99998
1.00000 1.00004 0.99998 0.99999 1.00000
0.99999 0.99999 1.00001 1.00000 0.99999
1.00001 0.99999 1.00000 1.00001 0.99998
1.00001 1.00000 1.00000 0.99998 1.00000
0.99998 0.99996 1.00000 0.99997 0.99999
1.00001 1.00001 1.00000 1.00003 0.99999
0.99999 0.99999 1.00001 1.00001 0.99999
1.00003 1.00003 1.00001 0.99998 0.99999
0.99999 1.00000 0.99998 0.99996 0.99999
0.99997 1.00001 0.99998 1.00001 1.00001
1.00001 1.00002 1.00000 1.00002 1.00002
1.00000 0.99999 1.00000 1.00000 0.99999
1.00000 0.99998 0.99999 0.99996 1.00002
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000-0.000-0.000
Vector 5: 0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000 0.000-0.000
Vector 8:-0.000 0.000 0.000-0.000 0.000 0.000 0.000
Vector 9:-0.000-0.000 0.000 0.000 0.000 0.000-0.000-0.000
Vector 10: 0.000 0.000-0.000-0.000-0.000 0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240227204658855155.eigenfacs
Openam> file on opening on unit 10:
240227204658855155.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240227204658855155.atom
Openam> file on opening on unit 11:
240227204658855155.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 = 242
First residue number = 1
Last residue number = 121
Number of atoms found = 2462
Mean number per residue = 10.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9904E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 20.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 27.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 28.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 29.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 32.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 35.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 36.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 37.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 40.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 41.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 43.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 45.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 45.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 46.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 48.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 49.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 50.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 51.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 51.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 52.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 52.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 53.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 55.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 59.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 60.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 61.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 62.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 63.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 64.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 65.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 66.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 66.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 67.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 68.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 69.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 70.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 70.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 72.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 73.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 74.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 75.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 76.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 77.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 78.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 79.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 79.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 81.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 83.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 83.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 84.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 85.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 85.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 86.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 87.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 88.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 88.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 89.73
Bfactors> 106 vectors, 7386 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 : 0.613500
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.037 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.037
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240227204658855155 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=0
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=100
240227204658855155.eigenfacs
240227204658855155.atom
making animated gifs
11 models are in 240227204658855155.7.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 240227204658855155.7.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 240227204658855155.7.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 240227204658855155 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=0
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=100
240227204658855155.eigenfacs
240227204658855155.atom
making animated gifs
11 models are in 240227204658855155.8.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 240227204658855155.8.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 240227204658855155.8.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 240227204658855155 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=0
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=100
240227204658855155.eigenfacs
240227204658855155.atom
making animated gifs
11 models are in 240227204658855155.9.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 240227204658855155.9.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 240227204658855155.9.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 240227204658855155 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=0
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=100
240227204658855155.eigenfacs
240227204658855155.atom
making animated gifs
11 models are in 240227204658855155.10.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 240227204658855155.10.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 240227204658855155.10.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 240227204658855155 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=-20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=0
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=20
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=40
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=60
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=80
240227204658855155.eigenfacs
240227204658855155.atom
calculating perturbed structure for DQ=100
240227204658855155.eigenfacs
240227204658855155.atom
making animated gifs
11 models are in 240227204658855155.11.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 240227204658855155.11.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 240227204658855155.11.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
240227204658855155.10.pdb
240227204658855155.11.pdb
240227204658855155.7.pdb
240227204658855155.8.pdb
240227204658855155.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.942s
user 0m7.906s
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: 240227204658855155.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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