*** PlanNO.1model2-TLR4-MD2-model1 ***
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 = 2401150617381117738.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 2401150617381117738.atom to be opened.
Openam> File opened: 2401150617381117738.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 = 1054
First residue number = 1
Last residue number = 320
Number of atoms found = 8280
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -23.338270 +/- 22.540155 From: -71.786000 To: 31.544000
= -15.965153 +/- 26.941800 From: -90.479000 To: 32.829000
= 10.599888 +/- 19.606692 From: -29.180000 To: 71.708000
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 0.9143 % Filled.
Pdbmat> 2820936 non-zero elements.
Pdbmat> 307984 atom-atom interactions.
Pdbmat> Number per atom= 74.39 +/- 23.72
Maximum number = 124
Minimum number = 8
Pdbmat> Matrix trace = 6.159680E+06
Pdbmat> Larger element = 469.048
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1054 non-zero elements, NRBL set to 6
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 = 2401150617381117738.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2401150617381117738.atom to be opened.
Openam> file on opening on unit 11:
2401150617381117738.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8280 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1054 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 51 atoms in block 2
Block first atom: 45
Blocpdb> 48 atoms in block 3
Block first atom: 96
Blocpdb> 45 atoms in block 4
Block first atom: 144
Blocpdb> 43 atoms in block 5
Block first atom: 189
Blocpdb> 49 atoms in block 6
Block first atom: 232
Blocpdb> 48 atoms in block 7
Block first atom: 281
Blocpdb> 50 atoms in block 8
Block first atom: 329
Blocpdb> 51 atoms in block 9
Block first atom: 379
Blocpdb> 55 atoms in block 10
Block first atom: 430
Blocpdb> 47 atoms in block 11
Block first atom: 485
Blocpdb> 55 atoms in block 12
Block first atom: 532
Blocpdb> 46 atoms in block 13
Block first atom: 587
Blocpdb> 43 atoms in block 14
Block first atom: 633
Blocpdb> 49 atoms in block 15
Block first atom: 676
Blocpdb> 40 atoms in block 16
Block first atom: 725
Blocpdb> 42 atoms in block 17
Block first atom: 765
Blocpdb> 44 atoms in block 18
Block first atom: 807
Blocpdb> 43 atoms in block 19
Block first atom: 851
Blocpdb> 45 atoms in block 20
Block first atom: 894
Blocpdb> 49 atoms in block 21
Block first atom: 939
Blocpdb> 47 atoms in block 22
Block first atom: 988
Blocpdb> 49 atoms in block 23
Block first atom: 1035
Blocpdb> 52 atoms in block 24
Block first atom: 1084
Blocpdb> 45 atoms in block 25
Block first atom: 1136
Blocpdb> 46 atoms in block 26
Block first atom: 1181
Blocpdb> 56 atoms in block 27
Block first atom: 1227
Blocpdb> 46 atoms in block 28
Block first atom: 1283
Blocpdb> 56 atoms in block 29
Block first atom: 1329
Blocpdb> 45 atoms in block 30
Block first atom: 1385
Blocpdb> 46 atoms in block 31
Block first atom: 1430
Blocpdb> 51 atoms in block 32
Block first atom: 1476
Blocpdb> 46 atoms in block 33
Block first atom: 1527
Blocpdb> 52 atoms in block 34
Block first atom: 1573
Blocpdb> 49 atoms in block 35
Block first atom: 1625
Blocpdb> 44 atoms in block 36
Block first atom: 1674
Blocpdb> 47 atoms in block 37
Block first atom: 1718
Blocpdb> 42 atoms in block 38
Block first atom: 1765
Blocpdb> 49 atoms in block 39
Block first atom: 1807
Blocpdb> 57 atoms in block 40
Block first atom: 1856
Blocpdb> 53 atoms in block 41
Block first atom: 1913
Blocpdb> 42 atoms in block 42
Block first atom: 1966
Blocpdb> 44 atoms in block 43
Block first atom: 2008
Blocpdb> 54 atoms in block 44
Block first atom: 2052
Blocpdb> 52 atoms in block 45
Block first atom: 2106
Blocpdb> 51 atoms in block 46
Block first atom: 2158
Blocpdb> 44 atoms in block 47
Block first atom: 2209
Blocpdb> 38 atoms in block 48
Block first atom: 2253
Blocpdb> 46 atoms in block 49
Block first atom: 2291
Blocpdb> 48 atoms in block 50
Block first atom: 2337
Blocpdb> 59 atoms in block 51
Block first atom: 2385
Blocpdb> 47 atoms in block 52
Block first atom: 2444
Blocpdb> 53 atoms in block 53
Block first atom: 2491
Blocpdb> 49 atoms in block 54
Block first atom: 2544
Blocpdb> 46 atoms in block 55
Block first atom: 2593
Blocpdb> 42 atoms in block 56
Block first atom: 2639
Blocpdb> 50 atoms in block 57
Block first atom: 2681
Blocpdb> 40 atoms in block 58
Block first atom: 2731
Blocpdb> 53 atoms in block 59
Block first atom: 2771
Blocpdb> 44 atoms in block 60
Block first atom: 2824
Blocpdb> 40 atoms in block 61
Block first atom: 2868
Blocpdb> 41 atoms in block 62
Block first atom: 2908
Blocpdb> 53 atoms in block 63
Block first atom: 2949
Blocpdb> 42 atoms in block 64
Block first atom: 3002
Blocpdb> 46 atoms in block 65
Block first atom: 3044
Blocpdb> 46 atoms in block 66
Block first atom: 3090
Blocpdb> 55 atoms in block 67
Block first atom: 3136
Blocpdb> 51 atoms in block 68
Block first atom: 3191
Blocpdb> 45 atoms in block 69
Block first atom: 3242
Blocpdb> 51 atoms in block 70
Block first atom: 3287
Blocpdb> 52 atoms in block 71
Block first atom: 3338
Blocpdb> 49 atoms in block 72
Block first atom: 3390
Blocpdb> 47 atoms in block 73
Block first atom: 3439
Blocpdb> 44 atoms in block 74
Block first atom: 3486
Blocpdb> 48 atoms in block 75
Block first atom: 3530
Blocpdb> 43 atoms in block 76
Block first atom: 3578
Blocpdb> 45 atoms in block 77
Block first atom: 3621
Blocpdb> 45 atoms in block 78
Block first atom: 3666
Blocpdb> 50 atoms in block 79
Block first atom: 3711
Blocpdb> 46 atoms in block 80
Block first atom: 3761
Blocpdb> 50 atoms in block 81
Block first atom: 3807
Blocpdb> 51 atoms in block 82
Block first atom: 3857
Blocpdb> 52 atoms in block 83
Block first atom: 3908
Blocpdb> 48 atoms in block 84
Block first atom: 3960
Blocpdb> 47 atoms in block 85
Block first atom: 4008
Blocpdb> 59 atoms in block 86
Block first atom: 4055
Blocpdb> 43 atoms in block 87
Block first atom: 4114
Blocpdb> 50 atoms in block 88
Block first atom: 4157
Blocpdb> 43 atoms in block 89
Block first atom: 4207
Blocpdb> 54 atoms in block 90
Block first atom: 4250
Blocpdb> 49 atoms in block 91
Block first atom: 4304
Blocpdb> 44 atoms in block 92
Block first atom: 4353
Blocpdb> 44 atoms in block 93
Block first atom: 4397
Blocpdb> 60 atoms in block 94
Block first atom: 4441
Blocpdb> 52 atoms in block 95
Block first atom: 4501
Blocpdb> 50 atoms in block 96
Block first atom: 4553
Blocpdb> 42 atoms in block 97
Block first atom: 4603
Blocpdb> 46 atoms in block 98
Block first atom: 4645
Blocpdb> 48 atoms in block 99
Block first atom: 4691
Blocpdb> 44 atoms in block 100
Block first atom: 4739
Blocpdb> 54 atoms in block 101
Block first atom: 4783
Blocpdb> 41 atoms in block 102
Block first atom: 4837
Blocpdb> 54 atoms in block 103
Block first atom: 4878
Blocpdb> 49 atoms in block 104
Block first atom: 4932
Blocpdb> 42 atoms in block 105
Block first atom: 4981
Blocpdb> 49 atoms in block 106
Block first atom: 5023
Blocpdb> 47 atoms in block 107
Block first atom: 5072
Blocpdb> 50 atoms in block 108
Block first atom: 5119
Blocpdb> 57 atoms in block 109
Block first atom: 5169
Blocpdb> 52 atoms in block 110
Block first atom: 5226
Blocpdb> 46 atoms in block 111
Block first atom: 5278
Blocpdb> 52 atoms in block 112
Block first atom: 5324
Blocpdb> 46 atoms in block 113
Block first atom: 5376
Blocpdb> 51 atoms in block 114
Block first atom: 5422
Blocpdb> 46 atoms in block 115
Block first atom: 5473
Blocpdb> 43 atoms in block 116
Block first atom: 5519
Blocpdb> 48 atoms in block 117
Block first atom: 5562
Blocpdb> 47 atoms in block 118
Block first atom: 5610
Blocpdb> 51 atoms in block 119
Block first atom: 5657
Blocpdb> 39 atoms in block 120
Block first atom: 5708
Blocpdb> 53 atoms in block 121
Block first atom: 5747
Blocpdb> 48 atoms in block 122
Block first atom: 5800
Blocpdb> 18 atoms in block 123
Block first atom: 5848
Blocpdb> 44 atoms in block 124
Block first atom: 5866
Blocpdb> 46 atoms in block 125
Block first atom: 5910
Blocpdb> 41 atoms in block 126
Block first atom: 5956
Blocpdb> 35 atoms in block 127
Block first atom: 5997
Blocpdb> 44 atoms in block 128
Block first atom: 6032
Blocpdb> 50 atoms in block 129
Block first atom: 6076
Blocpdb> 50 atoms in block 130
Block first atom: 6126
Blocpdb> 50 atoms in block 131
Block first atom: 6176
Blocpdb> 53 atoms in block 132
Block first atom: 6226
Blocpdb> 48 atoms in block 133
Block first atom: 6279
Blocpdb> 50 atoms in block 134
Block first atom: 6327
Blocpdb> 52 atoms in block 135
Block first atom: 6377
Blocpdb> 50 atoms in block 136
Block first atom: 6429
Blocpdb> 47 atoms in block 137
Block first atom: 6479
Blocpdb> 47 atoms in block 138
Block first atom: 6526
Blocpdb> 49 atoms in block 139
Block first atom: 6573
Blocpdb> 48 atoms in block 140
Block first atom: 6622
Blocpdb> 47 atoms in block 141
Block first atom: 6670
Blocpdb> 49 atoms in block 142
Block first atom: 6717
Blocpdb> 47 atoms in block 143
Block first atom: 6766
Blocpdb> 44 atoms in block 144
Block first atom: 6813
Blocpdb> 46 atoms in block 145
Block first atom: 6857
Blocpdb> 42 atoms in block 146
Block first atom: 6903
Blocpdb> 41 atoms in block 147
Block first atom: 6945
Blocpdb> 47 atoms in block 148
Block first atom: 6986
Blocpdb> 38 atoms in block 149
Block first atom: 7033
Blocpdb> 50 atoms in block 150
Block first atom: 7071
Blocpdb> 40 atoms in block 151
Block first atom: 7121
Blocpdb> 40 atoms in block 152
Block first atom: 7161
Blocpdb> 40 atoms in block 153
Block first atom: 7201
Blocpdb> 38 atoms in block 154
Block first atom: 7241
Blocpdb> 40 atoms in block 155
Block first atom: 7279
Blocpdb> 46 atoms in block 156
Block first atom: 7319
Blocpdb> 42 atoms in block 157
Block first atom: 7365
Blocpdb> 42 atoms in block 158
Block first atom: 7407
Blocpdb> 48 atoms in block 159
Block first atom: 7449
Blocpdb> 31 atoms in block 160
Block first atom: 7497
Blocpdb> 41 atoms in block 161
Block first atom: 7528
Blocpdb> 46 atoms in block 162
Block first atom: 7569
Blocpdb> 46 atoms in block 163
Block first atom: 7615
Blocpdb> 38 atoms in block 164
Block first atom: 7661
Blocpdb> 44 atoms in block 165
Block first atom: 7699
Blocpdb> 53 atoms in block 166
Block first atom: 7743
Blocpdb> 42 atoms in block 167
Block first atom: 7796
Blocpdb> 47 atoms in block 168
Block first atom: 7838
Blocpdb> 47 atoms in block 169
Block first atom: 7885
Blocpdb> 48 atoms in block 170
Block first atom: 7932
Blocpdb> 42 atoms in block 171
Block first atom: 7980
Blocpdb> 49 atoms in block 172
Block first atom: 8022
Blocpdb> 53 atoms in block 173
Block first atom: 8071
Blocpdb> 53 atoms in block 174
Block first atom: 8124
Blocpdb> 46 atoms in block 175
Block first atom: 8177
Blocpdb> 48 atoms in block 176
Block first atom: 8223
Blocpdb> 10 atoms in block 177
Block first atom: 8270
Blocpdb> 177 blocks.
Blocpdb> At most, 60 atoms in each of them.
Blocpdb> At least, 10 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 2821113 matrix lines read.
Prepmat> Matrix order = 24840
Prepmat> Matrix trace = 6159680.0000
Prepmat> Last element read: 24840 24840 75.9121
Prepmat> 15754 lines saved.
Prepmat> 14569 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: 8280
RTB> Total mass = 8280.0000
RTB> Number of atoms found in matrix: 8280
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 166208.7069
RTB> 39969 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 = 1062
Diagstd> Nb of non-zero elements: 39969
Diagstd> Projected matrix trace = 166208.7069
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1062 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 166208.7069
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 0.0023056 0.0028523 0.0047481 0.0063792
0.0107661 0.0117209 0.0226432 0.0299406 0.0395090
0.0406728 0.0516929 0.0575832 0.0776636 0.0814312
0.0965973 0.1159142 0.1248102 0.1646433 0.2384897
0.2603435 0.2739233 0.2874956 0.2970705 0.3284143
0.3462552 0.3977504 0.4105524 0.4926673 0.5211842
0.5548910 0.6508669 0.7559921 0.7999238 0.8395827
0.9309596 0.9614433 1.0854041 1.1014574 1.1256074
1.2046273 1.2738492 1.3843451 1.4432676 1.6184800
1.6698246 1.8394621 1.8865809 1.9940276 2.0181084
2.1992281 2.2514963 2.5002569 2.7003729 2.7700083
3.0210519 3.1481284 3.1970491 3.2879779 3.4401325
3.5326370 3.6692953 3.7433384 3.8467256 3.8977390
4.3049470 4.5720105 4.7664458 4.8210674 5.0620851
5.3631782 5.4610365 5.6171610 5.7141442 5.9172170
5.9929326 6.0606637 6.0658568 6.4719725 6.6639696
6.8115568 7.0258010 7.1485311 7.2995983 7.5186499
7.5863882 7.8460234 8.1043902 8.4046715 8.4938274
8.8051004 9.1351365 9.2929118 9.3556794 9.4537796
9.5479563 9.8452318 9.9241800 10.1700036 10.4086563
10.9674387
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034327 0.0034338 0.0034339 0.0034345
0.0034351 5.2142095 5.7994812 7.4826496 8.6731963
11.2674135 11.7564479 16.3404652 18.7899435 21.5845617
21.9001491 24.6894001 26.0581233 30.2624556 30.9877928
33.7503036 36.9711993 38.3636882 44.0623140 53.0310393
55.4075147 56.8342002 58.2251867 59.1868291 62.2309316
63.8989059 68.4858069 69.5792265 76.2205599 78.3954545
80.8907985 87.6075145 94.4178049 97.1224421 99.5009052
104.7757291 106.4773214 113.1334430 113.9670019 115.2096238
119.1850068 122.5615624 127.7666384 130.4573960 138.1493830
140.3235987 147.2789565 149.1533466 153.3419081 154.2650442
161.0387611 162.9411948 171.7068402 178.4461373 180.7323178
188.7445286 192.6732832 194.1645458 196.9063518 201.4108514
204.1008383 208.0111479 210.0994060 212.9810104 214.3885859
225.3093340 232.1928764 237.0787390 238.4332846 244.3205526
251.4817027 253.7656401 257.3675073 259.5797919 264.1520766
265.8367253 267.3347253 267.4492329 276.2572040 280.3249703
283.4121542 287.8347356 290.3378689 293.3896302 297.7592155
299.0975191 304.1725936 309.1401769 314.8151712 316.4805300
322.2273780 328.2107492 331.0329222 332.1489974 333.8858528
335.5447841 340.7283367 342.0917470 346.3026650 350.3423301
359.6233552
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8280
Rtb_to_modes> Number of blocs = 177
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: 9.9890E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9928E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9996E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.3056E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.8523E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.7481E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.3792E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.0766E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.1721E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.2643E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.9941E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.9509E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.0673E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.1693E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.7583E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.7664E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.1431E-02
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.6597E-02
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.1159
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1248
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1646
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.2385
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.2603
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.2739
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.2875
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.2971
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.3284
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.3463
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.3978
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.4106
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.4927
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.5212
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.5549
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.6509
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.7560
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.7999
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.8396
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.9310
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.9614
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.085
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.101
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.126
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 1.205
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 1.274
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 1.384
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.443
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 1.618
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 1.670
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.839
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 1.887
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 1.994
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 2.018
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.199
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 2.251
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 2.500
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 2.700
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 2.770
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 3.021
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 3.148
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 3.197
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 3.288
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 3.440
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 3.533
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 3.669
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 3.743
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 3.847
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 3.898
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 4.305
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 4.572
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 4.766
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 4.821
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 5.062
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 5.363
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 5.461
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 5.617
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 5.714
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 5.917
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 5.993
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 6.061
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 6.066
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 6.472
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 6.664
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 6.812
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 7.026
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 7.149
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 7.300
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 7.519
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 7.586
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 7.846
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 8.104
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.405
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.494
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 8.805
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 9.135
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 9.293
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 9.356
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 9.454
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 9.548
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 9.845
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 9.924
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 10.17
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 10.41
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 10.97
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99997
1.00001 0.99999 1.00002 1.00002 1.00000
1.00002 0.99998 1.00002 0.99997 1.00000
1.00001 1.00000 1.00001 1.00000 0.99996
1.00000 1.00001 0.99999 0.99999 1.00001
0.99998 1.00002 0.99997 0.99999 0.99999
1.00002 0.99998 1.00000 1.00002 0.99997
0.99998 1.00003 0.99998 0.99997 1.00000
1.00003 1.00000 0.99999 1.00002 1.00000
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00002 0.99999 1.00005 0.99999
0.99999 0.99999 1.00000 1.00001 1.00001
1.00002 0.99998 1.00001 1.00001 1.00003
0.99999 0.99998 0.99998 1.00000 0.99997
1.00001 1.00002 1.00003 0.99998 0.99999
0.99999 0.99999 0.99999 1.00003 1.00001
1.00001 0.99999 0.99998 0.99997 0.99998
1.00000 0.99999 1.00001 0.99997 1.00002
1.00001 1.00001 0.99998 1.00001 0.99996
1.00001 0.99999 0.99997 1.00000 1.00001
1.00000 0.99995 1.00002 1.00002 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 149040 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99997
1.00001 0.99999 1.00002 1.00002 1.00000
1.00002 0.99998 1.00002 0.99997 1.00000
1.00001 1.00000 1.00001 1.00000 0.99996
1.00000 1.00001 0.99999 0.99999 1.00001
0.99998 1.00002 0.99997 0.99999 0.99999
1.00002 0.99998 1.00000 1.00002 0.99997
0.99998 1.00003 0.99998 0.99997 1.00000
1.00003 1.00000 0.99999 1.00002 1.00000
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00002 0.99999 1.00005 0.99999
0.99999 0.99999 1.00000 1.00001 1.00001
1.00002 0.99998 1.00001 1.00001 1.00003
0.99999 0.99998 0.99998 1.00000 0.99997
1.00001 1.00002 1.00003 0.99998 0.99999
0.99999 0.99999 0.99999 1.00003 1.00001
1.00001 0.99999 0.99998 0.99997 0.99998
1.00000 0.99999 1.00001 0.99997 1.00002
1.00001 1.00001 0.99998 1.00001 0.99996
1.00001 0.99999 0.99997 1.00000 1.00001
1.00000 0.99995 1.00002 1.00002 0.99999
1.00001
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> 2401150617381117738.eigenfacs
Openam> file on opening on unit 10:
2401150617381117738.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150617381117738.atom
Openam> file on opening on unit 11:
2401150617381117738.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 = 1054
First residue number = 1
Last residue number = 320
Number of atoms found = 8280
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9890E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9996E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3056E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8523E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7481E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3792E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0766E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1721E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2643E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9941E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.9509E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0673E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.1693E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7583E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7664E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1431E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6597E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 1.994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 5.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 5.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 5.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 6.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 6.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 6.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 6.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 6.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 7.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 7.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 7.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 7.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 7.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 7.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 8.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 8.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 10.97
Bfactors> 106 vectors, 24840 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 : 0.002306
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> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-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 2401150617381117738 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=0
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=100
2401150617381117738.eigenfacs
2401150617381117738.atom
making animated gifs
11 models are in 2401150617381117738.7.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 2401150617381117738.7.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 2401150617381117738.7.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 2401150617381117738 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=0
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=100
2401150617381117738.eigenfacs
2401150617381117738.atom
making animated gifs
11 models are in 2401150617381117738.8.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 2401150617381117738.8.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 2401150617381117738.8.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 2401150617381117738 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=0
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=100
2401150617381117738.eigenfacs
2401150617381117738.atom
making animated gifs
11 models are in 2401150617381117738.9.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 2401150617381117738.9.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 2401150617381117738.9.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 2401150617381117738 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=0
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=100
2401150617381117738.eigenfacs
2401150617381117738.atom
making animated gifs
11 models are in 2401150617381117738.10.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 2401150617381117738.10.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 2401150617381117738.10.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 2401150617381117738 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=-20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=0
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=20
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=40
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=60
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=80
2401150617381117738.eigenfacs
2401150617381117738.atom
calculating perturbed structure for DQ=100
2401150617381117738.eigenfacs
2401150617381117738.atom
making animated gifs
11 models are in 2401150617381117738.11.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 2401150617381117738.11.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 2401150617381117738.11.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
2401150617381117738.10.pdb
2401150617381117738.11.pdb
2401150617381117738.7.pdb
2401150617381117738.8.pdb
2401150617381117738.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m38.483s
user 0m38.220s
sys 0m0.140s
../../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: 2401150617381117738.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.
|
