*** COMBINED3397 ***
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 = 2401190826411828475.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 2401190826411828475.atom to be opened.
Openam> File opened: 2401190826411828475.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 = 297
First residue number = 24
Last residue number = 320
Number of atoms found = 4859
Mean number per residue = 16.4
Pdbmat> Coordinate statistics:
= -0.016646 +/- 9.919248 From: -30.572000 To: 21.411000
= -0.007839 +/- 9.656763 From: -26.030000 To: 21.500000
= 0.056588 +/- 17.337122 From: -35.935000 To: 40.014000
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 3.0424 % Filled.
Pdbmat> 3232567 non-zero elements.
Pdbmat> 355992 atom-atom interactions.
Pdbmat> Number per atom= 146.53 +/- 43.33
Maximum number = 238
Minimum number = 20
Pdbmat> Matrix trace = 7.119840E+06
Pdbmat> Larger element = 858.403
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
297 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 = 2401190826411828475.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 2401190826411828475.atom to be opened.
Openam> file on opening on unit 11:
2401190826411828475.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4859 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> 297 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 40 atoms in block 2
Block first atom: 24
Blocpdb> 30 atoms in block 3
Block first atom: 64
Blocpdb> 33 atoms in block 4
Block first atom: 94
Blocpdb> 38 atoms in block 5
Block first atom: 127
Blocpdb> 38 atoms in block 6
Block first atom: 165
Blocpdb> 28 atoms in block 7
Block first atom: 203
Blocpdb> 35 atoms in block 8
Block first atom: 231
Blocpdb> 21 atoms in block 9
Block first atom: 266
Blocpdb> 38 atoms in block 10
Block first atom: 287
Blocpdb> 35 atoms in block 11
Block first atom: 325
Blocpdb> 27 atoms in block 12
Block first atom: 360
Blocpdb> 30 atoms in block 13
Block first atom: 387
Blocpdb> 37 atoms in block 14
Block first atom: 417
Blocpdb> 39 atoms in block 15
Block first atom: 454
Blocpdb> 36 atoms in block 16
Block first atom: 493
Blocpdb> 28 atoms in block 17
Block first atom: 529
Blocpdb> 28 atoms in block 18
Block first atom: 557
Blocpdb> 43 atoms in block 19
Block first atom: 585
Blocpdb> 36 atoms in block 20
Block first atom: 628
Blocpdb> 28 atoms in block 21
Block first atom: 664
Blocpdb> 24 atoms in block 22
Block first atom: 692
Blocpdb> 28 atoms in block 23
Block first atom: 716
Blocpdb> 39 atoms in block 24
Block first atom: 744
Blocpdb> 26 atoms in block 25
Block first atom: 783
Blocpdb> 30 atoms in block 26
Block first atom: 809
Blocpdb> 33 atoms in block 27
Block first atom: 839
Blocpdb> 35 atoms in block 28
Block first atom: 872
Blocpdb> 28 atoms in block 29
Block first atom: 907
Blocpdb> 40 atoms in block 30
Block first atom: 935
Blocpdb> 21 atoms in block 31
Block first atom: 975
Blocpdb> 32 atoms in block 32
Block first atom: 996
Blocpdb> 35 atoms in block 33
Block first atom: 1028
Blocpdb> 41 atoms in block 34
Block first atom: 1063
Blocpdb> 22 atoms in block 35
Block first atom: 1104
Blocpdb> 36 atoms in block 36
Block first atom: 1126
Blocpdb> 32 atoms in block 37
Block first atom: 1162
Blocpdb> 36 atoms in block 38
Block first atom: 1194
Blocpdb> 25 atoms in block 39
Block first atom: 1230
Blocpdb> 26 atoms in block 40
Block first atom: 1255
Blocpdb> 36 atoms in block 41
Block first atom: 1281
Blocpdb> 30 atoms in block 42
Block first atom: 1317
Blocpdb> 21 atoms in block 43
Block first atom: 1347
Blocpdb> 30 atoms in block 44
Block first atom: 1368
Blocpdb> 37 atoms in block 45
Block first atom: 1398
Blocpdb> 30 atoms in block 46
Block first atom: 1435
Blocpdb> 39 atoms in block 47
Block first atom: 1465
Blocpdb> 30 atoms in block 48
Block first atom: 1504
Blocpdb> 36 atoms in block 49
Block first atom: 1534
Blocpdb> 42 atoms in block 50
Block first atom: 1570
Blocpdb> 26 atoms in block 51
Block first atom: 1612
Blocpdb> 23 atoms in block 52
Block first atom: 1638
Blocpdb> 33 atoms in block 53
Block first atom: 1661
Blocpdb> 45 atoms in block 54
Block first atom: 1694
Blocpdb> 32 atoms in block 55
Block first atom: 1739
Blocpdb> 39 atoms in block 56
Block first atom: 1771
Blocpdb> 33 atoms in block 57
Block first atom: 1810
Blocpdb> 35 atoms in block 58
Block first atom: 1843
Blocpdb> 30 atoms in block 59
Block first atom: 1878
Blocpdb> 33 atoms in block 60
Block first atom: 1908
Blocpdb> 39 atoms in block 61
Block first atom: 1941
Blocpdb> 30 atoms in block 62
Block first atom: 1980
Blocpdb> 35 atoms in block 63
Block first atom: 2010
Blocpdb> 30 atoms in block 64
Block first atom: 2045
Blocpdb> 26 atoms in block 65
Block first atom: 2075
Blocpdb> 30 atoms in block 66
Block first atom: 2101
Blocpdb> 27 atoms in block 67
Block first atom: 2131
Blocpdb> 36 atoms in block 68
Block first atom: 2158
Blocpdb> 39 atoms in block 69
Block first atom: 2194
Blocpdb> 34 atoms in block 70
Block first atom: 2233
Blocpdb> 34 atoms in block 71
Block first atom: 2267
Blocpdb> 29 atoms in block 72
Block first atom: 2301
Blocpdb> 25 atoms in block 73
Block first atom: 2330
Blocpdb> 34 atoms in block 74
Block first atom: 2355
Blocpdb> 42 atoms in block 75
Block first atom: 2389
Blocpdb> 39 atoms in block 76
Block first atom: 2431
Blocpdb> 33 atoms in block 77
Block first atom: 2470
Blocpdb> 35 atoms in block 78
Block first atom: 2503
Blocpdb> 14 atoms in block 79
Block first atom: 2538
Blocpdb> 21 atoms in block 80
Block first atom: 2552
Blocpdb> 36 atoms in block 81
Block first atom: 2573
Blocpdb> 31 atoms in block 82
Block first atom: 2609
Blocpdb> 41 atoms in block 83
Block first atom: 2640
Blocpdb> 18 atoms in block 84
Block first atom: 2681
Blocpdb> 35 atoms in block 85
Block first atom: 2699
Blocpdb> 34 atoms in block 86
Block first atom: 2734
Blocpdb> 31 atoms in block 87
Block first atom: 2768
Blocpdb> 31 atoms in block 88
Block first atom: 2799
Blocpdb> 40 atoms in block 89
Block first atom: 2830
Blocpdb> 21 atoms in block 90
Block first atom: 2870
Blocpdb> 30 atoms in block 91
Block first atom: 2891
Blocpdb> 36 atoms in block 92
Block first atom: 2921
Blocpdb> 27 atoms in block 93
Block first atom: 2957
Blocpdb> 42 atoms in block 94
Block first atom: 2984
Blocpdb> 43 atoms in block 95
Block first atom: 3026
Blocpdb> 40 atoms in block 96
Block first atom: 3069
Blocpdb> 29 atoms in block 97
Block first atom: 3109
Blocpdb> 37 atoms in block 98
Block first atom: 3138
Blocpdb> 27 atoms in block 99
Block first atom: 3175
Blocpdb> 43 atoms in block 100
Block first atom: 3202
Blocpdb> 30 atoms in block 101
Block first atom: 3245
Blocpdb> 22 atoms in block 102
Block first atom: 3275
Blocpdb> 31 atoms in block 103
Block first atom: 3297
Blocpdb> 41 atoms in block 104
Block first atom: 3328
Blocpdb> 36 atoms in block 105
Block first atom: 3369
Blocpdb> 26 atoms in block 106
Block first atom: 3405
Blocpdb> 32 atoms in block 107
Block first atom: 3431
Blocpdb> 36 atoms in block 108
Block first atom: 3463
Blocpdb> 26 atoms in block 109
Block first atom: 3499
Blocpdb> 28 atoms in block 110
Block first atom: 3525
Blocpdb> 33 atoms in block 111
Block first atom: 3553
Blocpdb> 39 atoms in block 112
Block first atom: 3586
Blocpdb> 32 atoms in block 113
Block first atom: 3625
Blocpdb> 38 atoms in block 114
Block first atom: 3657
Blocpdb> 33 atoms in block 115
Block first atom: 3695
Blocpdb> 26 atoms in block 116
Block first atom: 3728
Blocpdb> 33 atoms in block 117
Block first atom: 3754
Blocpdb> 23 atoms in block 118
Block first atom: 3787
Blocpdb> 39 atoms in block 119
Block first atom: 3810
Blocpdb> 30 atoms in block 120
Block first atom: 3849
Blocpdb> 35 atoms in block 121
Block first atom: 3879
Blocpdb> 34 atoms in block 122
Block first atom: 3914
Blocpdb> 39 atoms in block 123
Block first atom: 3948
Blocpdb> 25 atoms in block 124
Block first atom: 3987
Blocpdb> 33 atoms in block 125
Block first atom: 4012
Blocpdb> 26 atoms in block 126
Block first atom: 4045
Blocpdb> 39 atoms in block 127
Block first atom: 4071
Blocpdb> 39 atoms in block 128
Block first atom: 4110
Blocpdb> 38 atoms in block 129
Block first atom: 4149
Blocpdb> 28 atoms in block 130
Block first atom: 4187
Blocpdb> 33 atoms in block 131
Block first atom: 4215
Blocpdb> 26 atoms in block 132
Block first atom: 4248
Blocpdb> 35 atoms in block 133
Block first atom: 4274
Blocpdb> 43 atoms in block 134
Block first atom: 4309
Blocpdb> 27 atoms in block 135
Block first atom: 4352
Blocpdb> 40 atoms in block 136
Block first atom: 4379
Blocpdb> 25 atoms in block 137
Block first atom: 4419
Blocpdb> 34 atoms in block 138
Block first atom: 4444
Blocpdb> 28 atoms in block 139
Block first atom: 4478
Blocpdb> 33 atoms in block 140
Block first atom: 4506
Blocpdb> 31 atoms in block 141
Block first atom: 4539
Blocpdb> 40 atoms in block 142
Block first atom: 4570
Blocpdb> 35 atoms in block 143
Block first atom: 4610
Blocpdb> 44 atoms in block 144
Block first atom: 4645
Blocpdb> 46 atoms in block 145
Block first atom: 4689
Blocpdb> 29 atoms in block 146
Block first atom: 4735
Blocpdb> 39 atoms in block 147
Block first atom: 4764
Blocpdb> 36 atoms in block 148
Block first atom: 4803
Blocpdb> 21 atoms in block 149
Block first atom: 4838
Blocpdb> 149 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 14 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> 3232716 matrix lines read.
Prepmat> Matrix order = 14577
Prepmat> Matrix trace = 7119840.0000
Prepmat> Last element read: 14577 14577 51.8391
Prepmat> 11176 lines saved.
Prepmat> 9495 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: 4859
RTB> Total mass = 4859.0000
RTB> Number of atoms found in matrix: 4859
RTB> Number of blocks = 149
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 364574.0467
RTB> 58245 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 = 894
Diagstd> Nb of non-zero elements: 58245
Diagstd> Projected matrix trace = 364574.0467
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 894 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 364574.0467
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 1.6583155 1.7549006 3.8881901 5.3682556
5.9962062 6.8361112 9.7778371 10.3974188 10.9472237
13.9066346 15.2834953 17.0417797 18.9697870 20.4715303
21.3764387 24.3014773 24.7255808 28.0183305 28.6272112
30.1214226 30.4849480 32.7104478 33.2065073 34.2423371
36.4738797 38.3596445 39.1926670 40.2802693 41.6247052
43.3243954 44.3629936 44.5388585 45.8253214 47.3062043
48.1546429 49.6491581 52.1708471 53.2320607 54.7955284
56.2298287 57.0543794 58.4558704 59.2239971 61.5246757
62.3483212 63.2190514 65.8819033 66.7242736 68.0909030
68.5676275 70.5096491 71.0268469 72.2288365 73.5953466
74.2384084 76.5535275 77.5593300 79.3785753 79.7871655
80.4888927 82.3225431 84.4555935 85.6291885 86.9870059
89.4363557 89.7895521 90.7597636 91.6742340 92.7215740
94.2376767 95.9698228 97.8127801 98.8634651 99.2953045
100.4290377 102.9696378 103.3580404 105.1086787 105.8691517
106.7653525 108.4222312 109.7623211 111.1748300 111.4625174
113.5607517 114.2120187 114.9445019 115.8836911 117.1817571
118.6137103 119.6360954 121.6499441 122.3992491 123.3691150
124.1739087 124.5700042 125.7749148 126.9675342 128.1886488
129.8258128
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034331 0.0034334 0.0034343 0.0034350
0.0034362 139.8391774 143.8538669 214.1258141 251.6007167
265.9093194 283.9225195 339.5601202 350.1531596 359.2917762
404.9545679 424.5282785 448.2835001 472.9622817 491.3267778
502.0684801 535.3177178 539.9686318 574.7995335 581.0115975
595.9818306 599.5673978 621.0671015 625.7586759 635.4435554
655.8224222 672.5623733 679.8258728 689.1939603 700.6011820
714.7621325 723.2787451 724.7109469 735.1027377 746.8860224
753.5539723 765.1581780 784.3487787 792.2858866 803.8367175
814.2891730 820.2377877 830.2508825 835.6879457 851.7653069
857.4477448 863.4143604 881.4107622 887.0277517 896.0656454
899.1969843 911.8419261 915.1800579 922.8913805 931.5806470
935.6417803 950.1187395 956.3399638 967.4909922 969.9778090
974.2339430 985.2686613 997.9516242 1004.8614708 1012.7971524
1026.9571610 1028.9829601 1034.5273064 1039.7260502 1045.6484015
1054.1625064 1063.8064685 1073.9723040 1079.7250927 1082.0806632
1088.2406164 1101.9195106 1103.9957808 1113.3060485 1117.3262368
1122.0454513 1130.7183765 1137.6847100 1144.9816254 1146.4621043
1157.2026234 1160.5161381 1164.2315964 1168.9782752 1175.5071717
1182.6676724 1187.7537093 1197.7087906 1201.3917823 1206.1421785
1210.0698945 1211.9983255 1217.8457818 1223.6060708 1229.4760275
1237.3022577
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4859
Rtb_to_modes> Number of blocs = 149
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: 9.9941E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.658
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.755
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.888
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.368
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.996
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.836
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.778
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.95
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.91
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.04
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.97
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.47
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 21.38
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 24.30
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.73
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 28.02
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 28.63
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 30.12
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 30.48
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 32.71
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 33.21
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 36.47
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 38.36
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 39.19
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 40.28
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.62
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 43.32
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 44.36
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 44.54
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 45.83
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 47.31
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 48.15
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 49.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 52.17
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 53.23
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 54.80
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 56.23
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 57.05
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 58.46
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 59.22
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 61.52
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 62.35
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 63.22
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 65.88
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 66.72
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 68.09
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 68.57
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 70.51
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 71.03
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 72.23
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 73.60
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 74.24
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 76.55
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 77.56
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 79.38
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 79.79
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 80.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 82.32
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 84.46
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 85.63
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 86.99
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 89.44
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 89.79
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 90.76
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 91.67
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 92.72
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 94.24
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 95.97
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 97.81
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 98.86
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 99.30
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 100.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 103.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 105.1
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 106.8
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 108.4
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 109.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 111.2
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 111.5
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 113.6
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 114.2
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 115.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 117.2
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 118.6
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 119.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 123.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 124.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 124.6
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 125.8
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 127.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 128.2
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 129.8
Rtb_to_modes> 106 vectors, with 894 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 0.99999 1.00000
1.00001 1.00000 1.00005 1.00000 1.00000
1.00001 1.00000 1.00001 0.99998 0.99998
0.99997 0.99999 1.00001 0.99996 1.00003
1.00003 1.00002 1.00000 1.00001 1.00004
0.99999 1.00001 1.00000 0.99997 1.00001
0.99998 0.99999 1.00001 1.00001 1.00003
1.00002 0.99999 0.99999 0.99999 1.00001
0.99998 1.00004 1.00002 0.99999 1.00002
0.99999 1.00001 1.00000 0.99999 1.00003
0.99998 0.99999 0.99998 1.00001 1.00002
1.00001 0.99999 1.00002 1.00000 0.99999
1.00000 1.00001 1.00000 0.99998 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 0.99998 1.00001
1.00001 1.00003 1.00001 1.00000 1.00001
0.99998 1.00001 0.99999 1.00001 0.99999
0.99999 0.99998 0.99997 1.00001 0.99998
1.00001 1.00000 0.99999 1.00000 1.00002
1.00002 1.00003 1.00000 1.00000 1.00001
1.00001 0.99999 1.00001 0.99998 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 87462 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 0.99999 1.00000
1.00001 1.00000 1.00005 1.00000 1.00000
1.00001 1.00000 1.00001 0.99998 0.99998
0.99997 0.99999 1.00001 0.99996 1.00003
1.00003 1.00002 1.00000 1.00001 1.00004
0.99999 1.00001 1.00000 0.99997 1.00001
0.99998 0.99999 1.00001 1.00001 1.00003
1.00002 0.99999 0.99999 0.99999 1.00001
0.99998 1.00004 1.00002 0.99999 1.00002
0.99999 1.00001 1.00000 0.99999 1.00003
0.99998 0.99999 0.99998 1.00001 1.00002
1.00001 0.99999 1.00002 1.00000 0.99999
1.00000 1.00001 1.00000 0.99998 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 0.99998 1.00001
1.00001 1.00003 1.00001 1.00000 1.00001
0.99998 1.00001 0.99999 1.00001 0.99999
0.99999 0.99998 0.99997 1.00001 0.99998
1.00001 1.00000 0.99999 1.00000 1.00002
1.00002 1.00003 1.00000 1.00000 1.00001
1.00001 0.99999 1.00001 0.99998 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> 2401190826411828475.eigenfacs
Openam> file on opening on unit 10:
2401190826411828475.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401190826411828475.atom
Openam> file on opening on unit 11:
2401190826411828475.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 = 297
First residue number = 24
Last residue number = 320
Number of atoms found = 4859
Mean number per residue = 16.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 24.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 28.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 28.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 30.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 30.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 32.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 33.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 36.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 38.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 39.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 40.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 43.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 44.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 44.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 45.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 47.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 48.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 49.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 52.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 53.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 54.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 56.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 57.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 58.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 59.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 61.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 62.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 63.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 65.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 66.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 68.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 68.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 70.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 71.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 72.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 73.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 74.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 76.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 77.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 79.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 79.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 80.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 82.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 84.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 85.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 86.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 89.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 89.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 90.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 91.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 92.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 94.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 95.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 97.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 98.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 99.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 100.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 106.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 108.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 109.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 111.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 113.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 115.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 117.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 118.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 119.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 123.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 124.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 124.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 127.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 128.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 129.8
Bfactors> 106 vectors, 14577 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 : 1.658000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.683 for 297 C-alpha atoms.
Bfactors> = 0.010 +/- 0.01
Bfactors> = 104.504 +/- 24.22
Bfactors> Shiftng-fct= 104.493
Bfactors> Scaling-fct= 1661.618
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401190826411828475 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=0
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=100
2401190826411828475.eigenfacs
2401190826411828475.atom
making animated gifs
11 models are in 2401190826411828475.7.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 2401190826411828475.7.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 2401190826411828475.7.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 2401190826411828475 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=0
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=100
2401190826411828475.eigenfacs
2401190826411828475.atom
making animated gifs
11 models are in 2401190826411828475.8.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 2401190826411828475.8.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 2401190826411828475.8.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 2401190826411828475 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=0
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=100
2401190826411828475.eigenfacs
2401190826411828475.atom
making animated gifs
11 models are in 2401190826411828475.9.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 2401190826411828475.9.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 2401190826411828475.9.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 2401190826411828475 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=0
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=100
2401190826411828475.eigenfacs
2401190826411828475.atom
making animated gifs
11 models are in 2401190826411828475.10.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 2401190826411828475.10.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 2401190826411828475.10.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 2401190826411828475 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=-20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=0
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=20
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=40
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=60
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=80
2401190826411828475.eigenfacs
2401190826411828475.atom
calculating perturbed structure for DQ=100
2401190826411828475.eigenfacs
2401190826411828475.atom
making animated gifs
11 models are in 2401190826411828475.11.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 2401190826411828475.11.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 2401190826411828475.11.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
2401190826411828475.10.pdb
2401190826411828475.11.pdb
2401190826411828475.7.pdb
2401190826411828475.8.pdb
2401190826411828475.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.578s
user 0m18.422s
sys 0m0.156s
../../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: 2401190826411828475.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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