*** pla-open-conform ***
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 = 2404082100263055204.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 2404082100263055204.atom to be opened.
Openam> File opened: 2404082100263055204.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:
= 53.214387 +/- 18.243267 From: 14.290000 To: 91.780000
= 53.184594 +/- 6.198540 From: 34.380000 To: 67.330000
= 53.300471 +/- 10.092216 From: 28.980000 To: 78.490000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS2' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS1' is not a well known amino-acid.
%Pdbmat-W> residue:'CYS2' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 28 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.0420 % Filled.
Pdbmat> 1102662 non-zero elements.
Pdbmat> 121065 atom-atom interactions.
Pdbmat> Number per atom= 98.35 +/- 31.23
Maximum number = 171
Minimum number = 16
Pdbmat> Matrix trace = 2.421300E+06
Pdbmat> Larger element = 624.336
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 = 2404082100263055204.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 2404082100263055204.atom to be opened.
Openam> file on opening on unit 11:
2404082100263055204.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> 1102784 matrix lines read.
Prepmat> Matrix order = 7386
Prepmat> Matrix trace = 2421300.0000
Prepmat> Last element read: 7386 7386 140.3607
Prepmat> 7504 lines saved.
Prepmat> 6219 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 = 199845.8497
RTB> 44394 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: 44394
Diagstd> Projected matrix trace = 199845.8497
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 = 199845.8497
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 0.5664515 0.9760797 1.1375107 4.2856948
4.7070569 6.3365567 6.6397574 8.4185727 9.0423540
10.3081915 11.7301272 12.7390419 13.8978595 18.2614137
19.7593376 20.2435978 20.5654555 22.9410533 23.6935961
23.8863741 24.6646126 25.5509585 25.8189543 26.2409480
27.8278958 29.6264008 31.0159471 31.4536386 32.4462160
33.9824480 35.5022627 36.0948660 37.6207608 38.2393828
39.7027455 40.8073701 42.1940244 43.3960052 43.9178118
45.3869167 45.6478632 47.0595473 47.9311826 48.3987233
49.7977121 50.5240666 51.0761468 51.8219014 53.3159436
54.4502541 55.3646821 56.9043255 57.6034572 59.1410548
60.0244275 60.4206574 61.5032058 62.1500089 63.2582335
64.4903338 64.7891114 65.8639066 67.5238701 67.5682445
69.1333106 69.5012743 71.1753925 71.2385900 72.3413278
73.9634441 74.1784977 75.3291474 75.6044394 76.7218181
77.7410252 78.2514224 79.4941703 79.8401636 80.3491725
81.8679232 82.8864994 83.2194268 83.5069070 84.2744208
84.6014894 85.5947252 86.0558833 86.7140665 88.7183297
89.6242151 91.7546878 92.3769955 93.3558950 94.0165561
95.4997071 96.7990771 97.2730538 97.6392808 99.3082768
101.0379970
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034328 0.0034338 0.0034339 0.0034349
0.0034359 81.7290881 107.2847328 115.8171909 224.8049653
235.5971335 273.3518040 279.8152547 315.0754124 326.5397319
348.6474710 371.9175229 387.5820569 404.8267843 464.0475429
482.7046376 488.5838754 492.4526132 520.1180874 528.5800538
530.7260382 539.3024953 548.9071387 551.7782845 556.2692338
572.8428073 591.0642975 604.7666078 609.0188380 618.5535562
633.0275495 647.0283307 652.4060762 666.0534274 671.5072672
684.2354175 693.6886419 705.3761233 715.3525945 719.6405499
731.5779721 733.6780174 744.9363263 751.8035159 755.4613201
766.3020288 771.8704763 776.0761614 781.7213116 792.9098812
801.3001714 808.0006041 819.1584586 824.1752246 835.1025569
841.3162813 844.0885388 851.6166761 856.0830095 863.6818839
872.0524222 874.0701557 881.2903680 892.3268133 892.6199683
902.8985541 905.2982148 916.1365617 916.5431961 923.6097697
933.9074570 935.2641705 942.4901203 944.2107245 951.1625078
957.4594985 960.5973863 968.1951902 970.2999059 973.3879922
982.5443599 988.6377268 990.6212511 992.3308185 996.8806552
998.8132263 1004.6592365 1007.3619984 1011.2069753 1022.8264697
1028.0351475 1040.1821845 1043.7036366 1049.2190174 1052.9250295
1061.1977001 1068.3926428 1071.0051409 1073.0193807 1082.1513443
1091.5349455
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: 9.9839E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9932E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5665
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9761
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.138
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.286
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.707
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.337
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.640
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.419
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.042
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.31
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.73
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 18.26
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 19.76
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 20.24
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 20.57
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 22.94
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 23.69
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 23.89
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 24.66
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 25.55
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 25.82
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 29.63
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 31.45
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 32.45
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 33.98
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 35.50
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 36.09
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 37.62
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 39.70
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 40.81
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 43.40
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 43.92
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 45.39
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 45.65
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 47.06
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 47.93
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 48.40
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 49.80
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 50.52
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 51.08
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 51.82
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 53.32
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 54.45
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 55.36
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 56.90
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 57.60
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 59.14
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 60.02
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 60.42
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 61.50
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 62.15
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 63.26
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 64.79
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 65.86
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 67.52
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 67.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 69.13
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 69.50
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 71.18
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 71.24
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 72.34
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 73.96
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 74.18
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 75.33
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 75.60
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 76.72
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 77.74
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 78.25
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 79.49
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 79.84
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 80.35
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 81.87
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 82.89
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 83.22
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 83.51
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 84.27
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 84.60
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 85.59
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 86.06
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 86.71
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 88.72
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 89.62
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 91.75
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 92.38
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 93.36
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 94.02
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 95.50
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 96.80
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 97.27
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 97.64
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 99.31
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 101.0
Rtb_to_modes> 106 vectors, with 732 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00003 1.00000 1.00000
0.99997 0.99999 1.00002 1.00002 1.00001
1.00002 1.00002 0.99999 1.00001 1.00002
1.00000 0.99998 0.99998 1.00000 1.00004
1.00002 0.99995 0.99999 1.00000 0.99999
1.00000 1.00000 0.99999 1.00002 1.00001
0.99997 0.99997 0.99997 0.99999 1.00002
1.00001 1.00001 1.00000 0.99995 0.99996
0.99998 1.00003 1.00001 0.99999 0.99999
1.00000 0.99998 1.00000 1.00001 1.00001
1.00001 1.00000 0.99999 0.99999 1.00002
1.00000 1.00001 1.00003 1.00000 0.99996
0.99998 1.00004 0.99997 1.00000 1.00003
1.00000 0.99999 0.99999 1.00002 0.99999
1.00000 0.99998 0.99999 1.00000 0.99999
1.00002 1.00003 1.00002 1.00003 1.00003
1.00001 0.99997 1.00000 1.00002 1.00001
0.99999 1.00001 0.99997 1.00000 1.00003
0.99999 0.99999 0.99997 1.00001 0.99999
1.00000 1.00001 1.00001 0.99999 0.99998
1.00001 0.99999 1.00001 0.99999 1.00000
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):
0.99998 1.00000 1.00003 1.00000 1.00000
0.99997 0.99999 1.00002 1.00002 1.00001
1.00002 1.00002 0.99999 1.00001 1.00002
1.00000 0.99998 0.99998 1.00000 1.00004
1.00002 0.99995 0.99999 1.00000 0.99999
1.00000 1.00000 0.99999 1.00002 1.00001
0.99997 0.99997 0.99997 0.99999 1.00002
1.00001 1.00001 1.00000 0.99995 0.99996
0.99998 1.00003 1.00001 0.99999 0.99999
1.00000 0.99998 1.00000 1.00001 1.00001
1.00001 1.00000 0.99999 0.99999 1.00002
1.00000 1.00001 1.00003 1.00000 0.99996
0.99998 1.00004 0.99997 1.00000 1.00003
1.00000 0.99999 0.99999 1.00002 0.99999
1.00000 0.99998 0.99999 1.00000 0.99999
1.00002 1.00003 1.00002 1.00003 1.00003
1.00001 0.99997 1.00000 1.00002 1.00001
0.99999 1.00001 0.99997 1.00000 1.00003
0.99999 0.99999 0.99997 1.00001 0.99999
1.00000 1.00001 1.00001 0.99999 0.99998
1.00001 0.99999 1.00001 0.99999 1.00000
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> 2404082100263055204.eigenfacs
Openam> file on opening on unit 10:
2404082100263055204.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404082100263055204.atom
Openam> file on opening on unit 11:
2404082100263055204.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: 9.9839E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9932E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 20.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 22.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 23.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 23.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 24.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 25.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 25.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 29.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 31.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 32.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 33.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 35.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 36.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 37.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 39.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 40.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 43.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 43.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 45.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 45.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 47.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 47.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 48.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 49.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 50.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 51.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 51.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 53.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 54.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 55.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 56.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 57.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 59.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 60.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 60.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 61.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 62.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 63.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 64.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 65.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 67.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 67.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 69.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 69.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 71.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 71.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 72.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 73.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 74.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 75.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 75.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 76.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 77.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 78.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 79.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 79.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 80.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 81.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 82.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 83.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 83.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 84.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 84.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 85.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 86.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 86.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 88.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 89.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 91.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 92.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 93.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 94.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 95.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 96.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 97.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 97.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 99.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 101.0
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 : 0.566500
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> = 0.036 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.036
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 2404082100263055204 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=0
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=100
2404082100263055204.eigenfacs
2404082100263055204.atom
making animated gifs
11 models are in 2404082100263055204.7.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 2404082100263055204.7.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 2404082100263055204.7.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 2404082100263055204 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=0
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=100
2404082100263055204.eigenfacs
2404082100263055204.atom
making animated gifs
11 models are in 2404082100263055204.8.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 2404082100263055204.8.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 2404082100263055204.8.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 2404082100263055204 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=0
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=100
2404082100263055204.eigenfacs
2404082100263055204.atom
making animated gifs
11 models are in 2404082100263055204.9.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 2404082100263055204.9.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 2404082100263055204.9.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 2404082100263055204 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=0
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=100
2404082100263055204.eigenfacs
2404082100263055204.atom
making animated gifs
11 models are in 2404082100263055204.10.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 2404082100263055204.10.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 2404082100263055204.10.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 2404082100263055204 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=-20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=0
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=20
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=40
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=60
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=80
2404082100263055204.eigenfacs
2404082100263055204.atom
calculating perturbed structure for DQ=100
2404082100263055204.eigenfacs
2404082100263055204.atom
making animated gifs
11 models are in 2404082100263055204.11.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 2404082100263055204.11.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 2404082100263055204.11.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
2404082100263055204.10.pdb
2404082100263055204.11.pdb
2404082100263055204.7.pdb
2404082100263055204.8.pdb
2404082100263055204.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.235s
user 0m8.147s
sys 0m0.088s
../../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: 2404082100263055204.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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