*** ***
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 = 2403302133521627559.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 2403302133521627559.atom to be opened.
Openam> File opened: 2403302133521627559.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 = 530
First residue number = 4
Last residue number = 542
Number of atoms found = 8154
Mean number per residue = 15.4
Pdbmat> Coordinate statistics:
= -2.881840 +/- 11.803935 From: -31.970000 To: 24.541000
= -40.497564 +/- 13.028994 From: -73.054000 To: -9.584000
= 30.681983 +/- 14.296193 From: -9.240000 To: 67.517000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'GLU-' is not a well known amino-acid.
%Pdbmat-W> residue:'ASP-' is not a well known amino-acid.
%Pdbmat-W> residue:'GLU-' is not a well known amino-acid.
%Pdbmat-W> residue:'ARG+' is not a well known amino-acid.
%Pdbmat-W> residue:'ARG+' is not a well known amino-acid.
%Pdbmat-W> residue:'ARG+' is not a well known amino-acid.
%Pdbmat-W> residue:'ARG+' is not a well known amino-acid.
%Pdbmat-W> residue:'LYS+' is not a well known amino-acid.
%Pdbmat-W> residue:'GLU-' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 100 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.1019 % Filled.
Pdbmat> 6289094 non-zero elements.
Pdbmat> 693460 atom-atom interactions.
Pdbmat> Number per atom= 170.09 +/- 44.97
Maximum number = 249
Minimum number = 24
Pdbmat> Matrix trace = 1.386920E+07
Pdbmat> Larger element = 907.169
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
530 non-zero elements, NRBL set to 3
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 = 2403302133521627559.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2403302133521627559.atom to be opened.
Openam> file on opening on unit 11:
2403302133521627559.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8154 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 530 residues.
Blocpdb> 39 atoms in block 1
Block first atom: 1
Blocpdb> 53 atoms in block 2
Block first atom: 40
Blocpdb> 46 atoms in block 3
Block first atom: 93
Blocpdb> 38 atoms in block 4
Block first atom: 139
Blocpdb> 67 atoms in block 5
Block first atom: 177
Blocpdb> 50 atoms in block 6
Block first atom: 244
Blocpdb> 55 atoms in block 7
Block first atom: 294
Blocpdb> 28 atoms in block 8
Block first atom: 349
Blocpdb> 41 atoms in block 9
Block first atom: 377
Blocpdb> 49 atoms in block 10
Block first atom: 418
Blocpdb> 40 atoms in block 11
Block first atom: 467
Blocpdb> 45 atoms in block 12
Block first atom: 507
Blocpdb> 45 atoms in block 13
Block first atom: 552
Blocpdb> 45 atoms in block 14
Block first atom: 597
Blocpdb> 63 atoms in block 15
Block first atom: 642
Blocpdb> 43 atoms in block 16
Block first atom: 705
Blocpdb> 53 atoms in block 17
Block first atom: 748
Blocpdb> 49 atoms in block 18
Block first atom: 801
Blocpdb> 39 atoms in block 19
Block first atom: 850
Blocpdb> 36 atoms in block 20
Block first atom: 889
Blocpdb> 51 atoms in block 21
Block first atom: 925
Blocpdb> 37 atoms in block 22
Block first atom: 976
Blocpdb> 59 atoms in block 23
Block first atom: 1013
Blocpdb> 42 atoms in block 24
Block first atom: 1072
Blocpdb> 54 atoms in block 25
Block first atom: 1114
Blocpdb> 42 atoms in block 26
Block first atom: 1168
Blocpdb> 36 atoms in block 27
Block first atom: 1210
Blocpdb> 55 atoms in block 28
Block first atom: 1246
Blocpdb> 52 atoms in block 29
Block first atom: 1301
Blocpdb> 45 atoms in block 30
Block first atom: 1353
Blocpdb> 37 atoms in block 31
Block first atom: 1398
Blocpdb> 59 atoms in block 32
Block first atom: 1435
Blocpdb> 54 atoms in block 33
Block first atom: 1494
Blocpdb> 49 atoms in block 34
Block first atom: 1548
Blocpdb> 52 atoms in block 35
Block first atom: 1597
Blocpdb> 39 atoms in block 36
Block first atom: 1649
Blocpdb> 44 atoms in block 37
Block first atom: 1688
Blocpdb> 59 atoms in block 38
Block first atom: 1732
Blocpdb> 47 atoms in block 39
Block first atom: 1791
Blocpdb> 34 atoms in block 40
Block first atom: 1838
Blocpdb> 39 atoms in block 41
Block first atom: 1872
Blocpdb> 32 atoms in block 42
Block first atom: 1911
Blocpdb> 47 atoms in block 43
Block first atom: 1943
Blocpdb> 40 atoms in block 44
Block first atom: 1990
Blocpdb> 63 atoms in block 45
Block first atom: 2030
Blocpdb> 43 atoms in block 46
Block first atom: 2093
Blocpdb> 53 atoms in block 47
Block first atom: 2136
Blocpdb> 51 atoms in block 48
Block first atom: 2189
Blocpdb> 42 atoms in block 49
Block first atom: 2240
Blocpdb> 61 atoms in block 50
Block first atom: 2282
Blocpdb> 37 atoms in block 51
Block first atom: 2343
Blocpdb> 46 atoms in block 52
Block first atom: 2380
Blocpdb> 43 atoms in block 53
Block first atom: 2426
Blocpdb> 42 atoms in block 54
Block first atom: 2469
Blocpdb> 39 atoms in block 55
Block first atom: 2511
Blocpdb> 37 atoms in block 56
Block first atom: 2550
Blocpdb> 45 atoms in block 57
Block first atom: 2587
Blocpdb> 53 atoms in block 58
Block first atom: 2632
Blocpdb> 48 atoms in block 59
Block first atom: 2685
Blocpdb> 57 atoms in block 60
Block first atom: 2733
Blocpdb> 46 atoms in block 61
Block first atom: 2790
Blocpdb> 36 atoms in block 62
Block first atom: 2836
Blocpdb> 34 atoms in block 63
Block first atom: 2872
Blocpdb> 40 atoms in block 64
Block first atom: 2906
Blocpdb> 41 atoms in block 65
Block first atom: 2946
Blocpdb> 46 atoms in block 66
Block first atom: 2987
Blocpdb> 36 atoms in block 67
Block first atom: 3033
Blocpdb> 27 atoms in block 68
Block first atom: 3069
Blocpdb> 34 atoms in block 69
Block first atom: 3096
Blocpdb> 53 atoms in block 70
Block first atom: 3130
Blocpdb> 44 atoms in block 71
Block first atom: 3183
Blocpdb> 49 atoms in block 72
Block first atom: 3227
Blocpdb> 46 atoms in block 73
Block first atom: 3276
Blocpdb> 51 atoms in block 74
Block first atom: 3322
Blocpdb> 52 atoms in block 75
Block first atom: 3373
Blocpdb> 28 atoms in block 76
Block first atom: 3425
Blocpdb> 35 atoms in block 77
Block first atom: 3453
Blocpdb> 48 atoms in block 78
Block first atom: 3488
Blocpdb> 37 atoms in block 79
Block first atom: 3536
Blocpdb> 39 atoms in block 80
Block first atom: 3573
Blocpdb> 58 atoms in block 81
Block first atom: 3612
Blocpdb> 48 atoms in block 82
Block first atom: 3670
Blocpdb> 46 atoms in block 83
Block first atom: 3718
Blocpdb> 52 atoms in block 84
Block first atom: 3764
Blocpdb> 33 atoms in block 85
Block first atom: 3816
Blocpdb> 42 atoms in block 86
Block first atom: 3849
Blocpdb> 50 atoms in block 87
Block first atom: 3891
Blocpdb> 40 atoms in block 88
Block first atom: 3941
Blocpdb> 62 atoms in block 89
Block first atom: 3981
Blocpdb> 41 atoms in block 90
Block first atom: 4043
Blocpdb> 51 atoms in block 91
Block first atom: 4084
Blocpdb> 46 atoms in block 92
Block first atom: 4135
Blocpdb> 57 atoms in block 93
Block first atom: 4181
Blocpdb> 50 atoms in block 94
Block first atom: 4238
Blocpdb> 42 atoms in block 95
Block first atom: 4288
Blocpdb> 64 atoms in block 96
Block first atom: 4330
Blocpdb> 47 atoms in block 97
Block first atom: 4394
Blocpdb> 46 atoms in block 98
Block first atom: 4441
Blocpdb> 31 atoms in block 99
Block first atom: 4487
Blocpdb> 50 atoms in block 100
Block first atom: 4518
Blocpdb> 40 atoms in block 101
Block first atom: 4568
Blocpdb> 44 atoms in block 102
Block first atom: 4608
Blocpdb> 43 atoms in block 103
Block first atom: 4652
Blocpdb> 39 atoms in block 104
Block first atom: 4695
Blocpdb> 43 atoms in block 105
Block first atom: 4734
Blocpdb> 52 atoms in block 106
Block first atom: 4777
Blocpdb> 39 atoms in block 107
Block first atom: 4829
Blocpdb> 50 atoms in block 108
Block first atom: 4868
Blocpdb> 33 atoms in block 109
Block first atom: 4918
Blocpdb> 60 atoms in block 110
Block first atom: 4951
Blocpdb> 44 atoms in block 111
Block first atom: 5011
Blocpdb> 31 atoms in block 112
Block first atom: 5055
Blocpdb> 53 atoms in block 113
Block first atom: 5086
Blocpdb> 41 atoms in block 114
Block first atom: 5139
Blocpdb> 49 atoms in block 115
Block first atom: 5180
Blocpdb> 45 atoms in block 116
Block first atom: 5229
Blocpdb> 54 atoms in block 117
Block first atom: 5274
Blocpdb> 33 atoms in block 118
Block first atom: 5328
Blocpdb> 47 atoms in block 119
Block first atom: 5361
Blocpdb> 47 atoms in block 120
Block first atom: 5408
Blocpdb> 39 atoms in block 121
Block first atom: 5455
Blocpdb> 39 atoms in block 122
Block first atom: 5494
Blocpdb> 41 atoms in block 123
Block first atom: 5533
Blocpdb> 52 atoms in block 124
Block first atom: 5574
Blocpdb> 47 atoms in block 125
Block first atom: 5626
Blocpdb> 60 atoms in block 126
Block first atom: 5673
Blocpdb> 41 atoms in block 127
Block first atom: 5733
Blocpdb> 48 atoms in block 128
Block first atom: 5774
Blocpdb> 58 atoms in block 129
Block first atom: 5822
Blocpdb> 40 atoms in block 130
Block first atom: 5880
Blocpdb> 44 atoms in block 131
Block first atom: 5920
Blocpdb> 36 atoms in block 132
Block first atom: 5964
Blocpdb> 46 atoms in block 133
Block first atom: 6000
Blocpdb> 41 atoms in block 134
Block first atom: 6046
Blocpdb> 46 atoms in block 135
Block first atom: 6087
Blocpdb> 41 atoms in block 136
Block first atom: 6133
Blocpdb> 39 atoms in block 137
Block first atom: 6174
Blocpdb> 34 atoms in block 138
Block first atom: 6213
Blocpdb> 61 atoms in block 139
Block first atom: 6247
Blocpdb> 47 atoms in block 140
Block first atom: 6308
Blocpdb> 52 atoms in block 141
Block first atom: 6355
Blocpdb> 45 atoms in block 142
Block first atom: 6407
Blocpdb> 44 atoms in block 143
Block first atom: 6452
Blocpdb> 57 atoms in block 144
Block first atom: 6496
Blocpdb> 48 atoms in block 145
Block first atom: 6553
Blocpdb> 47 atoms in block 146
Block first atom: 6601
Blocpdb> 43 atoms in block 147
Block first atom: 6648
Blocpdb> 54 atoms in block 148
Block first atom: 6691
Blocpdb> 46 atoms in block 149
Block first atom: 6745
Blocpdb> 52 atoms in block 150
Block first atom: 6791
Blocpdb> 37 atoms in block 151
Block first atom: 6843
Blocpdb> 59 atoms in block 152
Block first atom: 6880
Blocpdb> 39 atoms in block 153
Block first atom: 6939
Blocpdb> 56 atoms in block 154
Block first atom: 6978
Blocpdb> 47 atoms in block 155
Block first atom: 7034
Blocpdb> 60 atoms in block 156
Block first atom: 7081
Blocpdb> 69 atoms in block 157
Block first atom: 7141
Blocpdb> 44 atoms in block 158
Block first atom: 7210
Blocpdb> 48 atoms in block 159
Block first atom: 7254
Blocpdb> 33 atoms in block 160
Block first atom: 7302
Blocpdb> 43 atoms in block 161
Block first atom: 7335
Blocpdb> 37 atoms in block 162
Block first atom: 7378
Blocpdb> 57 atoms in block 163
Block first atom: 7415
Blocpdb> 49 atoms in block 164
Block first atom: 7472
Blocpdb> 31 atoms in block 165
Block first atom: 7521
Blocpdb> 44 atoms in block 166
Block first atom: 7552
Blocpdb> 48 atoms in block 167
Block first atom: 7596
Blocpdb> 50 atoms in block 168
Block first atom: 7644
Blocpdb> 57 atoms in block 169
Block first atom: 7694
Blocpdb> 55 atoms in block 170
Block first atom: 7751
Blocpdb> 50 atoms in block 171
Block first atom: 7806
Blocpdb> 51 atoms in block 172
Block first atom: 7856
Blocpdb> 31 atoms in block 173
Block first atom: 7907
Blocpdb> 58 atoms in block 174
Block first atom: 7938
Blocpdb> 63 atoms in block 175
Block first atom: 7996
Blocpdb> 55 atoms in block 176
Block first atom: 8059
Blocpdb> 41 atoms in block 177
Block first atom: 8113
Blocpdb> 177 blocks.
Blocpdb> At most, 69 atoms in each of them.
Blocpdb> At least, 27 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> 6289271 matrix lines read.
Prepmat> Matrix order = 24462
Prepmat> Matrix trace = 13869200.0000
Prepmat> Last element read: 24462 24462 272.9726
Prepmat> 15754 lines saved.
Prepmat> 13486 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: 8154
RTB> Total mass = 8154.0000
RTB> Number of atoms found in matrix: 8154
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 488724.0184
RTB> 78957 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: 78957
Diagstd> Projected matrix trace = 488724.0184
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 = 488724.0184
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 6.2299959 7.3933550 7.8413852 12.8235802
15.1071492 15.9885991 16.7421237 18.0117926 20.4750782
21.9718421 23.7003255 26.3827417 27.4482507 29.3735919
31.6841747 32.7460015 34.4232409 36.0417241 36.7089728
38.3175144 39.5245213 41.8237491 43.4522905 45.6906738
48.3700544 49.9073252 51.4299297 53.5920004 54.9172387
56.6013331 58.2825613 58.7763990 60.0140008 62.1541852
64.1028521 65.6344080 67.6036224 68.7398508 71.1614657
72.4978196 73.9687545 75.3944639 76.5438051 77.4613216
78.1216311 80.5621420 81.1956275 84.1535572 86.5300685
87.2781572 88.6052551 90.2176412 91.9821830 92.4248096
93.4986666 95.3693550 95.7783876 98.1924181 100.3337618
100.5309325 103.0355258 104.6215044 105.6911209 106.2240045
107.3288887 108.2472461 109.8813972 110.4905563 110.9941340
112.8151185 114.1952581 114.9001164 115.6472384 117.0587937
117.9250461 119.4010751 120.3823481 122.0702346 123.8391544
125.1305683 125.7190981 127.3453428 128.9994605 130.0268547
130.8230522 132.9522411 133.6135248 134.2283264 135.0998096
136.3254437 137.5343596 138.6651388 139.7509366 141.2865519
143.4344450 143.8829983 145.2645655 145.4258558 148.1044214
150.5724649
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034280 0.0034319 0.0034337 0.0034346 0.0034351
0.0034356 271.0436031 295.2677816 304.0826734 388.8659587
422.0719969 434.2106661 444.3247991 460.8650228 491.3693515
509.0125792 528.6551109 557.7701171 568.9218533 588.5370506
611.2466328 621.4045358 637.1198827 651.9256355 657.9325856
672.1929370 682.6979360 702.2742760 715.8163558 734.0219743
755.2375383 767.1449444 778.7592995 794.9599771 804.7289523
816.9747054 829.0192114 832.5240110 841.2432064 856.1117724
869.4286690 879.7536282 892.8536202 900.3255456 916.0469276
924.6082261 933.9409824 942.8986392 950.0584042 955.7355301
959.8004107 974.6771452 978.5017380 996.1655521 1010.1335693
1014.4906859 1022.1744483 1031.4329813 1041.4708924 1043.9737110
1050.0210101 1060.4732132 1062.7449284 1076.0544747 1087.7242930
1088.7925380 1102.2720012 1110.7229886 1116.3863871 1119.1972006
1125.0027823 1129.8055619 1138.3016536 1141.4525440 1144.0507594
1153.3973047 1160.4309823 1164.0067926 1167.7850566 1174.8902573
1179.2294253 1186.5864886 1191.4523697 1199.7759991 1208.4377100
1214.7222561 1217.5755222 1225.4252187 1233.3582047 1238.2598998
1242.0452517 1252.1118089 1255.2218509 1258.1063894 1262.1839365
1267.8963166 1273.5056763 1278.7302103 1283.7269061 1290.7605795
1300.5348935 1302.5668460 1308.8055410 1309.5319366 1321.5368945
1332.5025853
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8154
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: 9.9655E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9879E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9983E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.230
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.393
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.841
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.74
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 18.01
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 20.48
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 21.97
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 23.70
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 26.38
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 27.45
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 29.37
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 31.68
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 32.75
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 34.42
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 36.04
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 36.71
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 39.52
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 41.82
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 45.69
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 48.37
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 49.91
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 51.43
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 53.59
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 54.92
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 56.60
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 58.28
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 58.78
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 60.01
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 62.15
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 64.10
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 65.63
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 67.60
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 68.74
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 71.16
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 72.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 73.97
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 75.39
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 76.54
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 77.46
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 78.12
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 80.56
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 81.20
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 84.15
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 86.53
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 87.28
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 88.61
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 90.22
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 91.98
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 92.42
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 93.50
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 95.37
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 95.78
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 98.19
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 100.3
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 100.5
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 104.6
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 106.2
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 107.3
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 108.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 110.5
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 111.0
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 112.8
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 114.2
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 115.6
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 117.1
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 117.9
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 119.4
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 120.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 122.1
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 123.8
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 125.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 125.7
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 127.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 129.0
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 130.0
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 130.8
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 133.0
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 133.6
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 134.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 135.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 136.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 137.5
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 138.7
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 139.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 141.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 143.4
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 143.9
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 145.3
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 145.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 148.1
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 150.6
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 0.99997 0.99999 0.99999 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
0.99999 1.00000 1.00002 0.99998 1.00003
1.00003 0.99999 1.00001 1.00001 1.00001
0.99999 0.99999 1.00000 0.99996 1.00003
1.00000 1.00002 1.00000 1.00001 0.99999
0.99999 1.00000 0.99999 1.00001 1.00000
0.99999 0.99996 1.00001 1.00000 1.00003
1.00002 0.99999 0.99999 0.99999 0.99999
1.00000 1.00002 0.99998 1.00000 1.00000
1.00001 1.00002 0.99999 0.99998 0.99997
0.99999 1.00000 1.00001 1.00000 0.99997
0.99999 0.99999 0.99998 0.99999 0.99998
1.00000 0.99998 0.99998 1.00000 1.00001
1.00000 1.00002 1.00000 1.00000 1.00002
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 1.00000 1.00003 1.00002 1.00003
1.00002 1.00001 0.99999 1.00001 1.00001
1.00000 1.00000 1.00001 1.00001 1.00000
1.00001 1.00002 0.99999 1.00004 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 146772 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 0.99997 0.99999 0.99999 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
0.99999 1.00000 1.00002 0.99998 1.00003
1.00003 0.99999 1.00001 1.00001 1.00001
0.99999 0.99999 1.00000 0.99996 1.00003
1.00000 1.00002 1.00000 1.00001 0.99999
0.99999 1.00000 0.99999 1.00001 1.00000
0.99999 0.99996 1.00001 1.00000 1.00003
1.00002 0.99999 0.99999 0.99999 0.99999
1.00000 1.00002 0.99998 1.00000 1.00000
1.00001 1.00002 0.99999 0.99998 0.99997
0.99999 1.00000 1.00001 1.00000 0.99997
0.99999 0.99999 0.99998 0.99999 0.99998
1.00000 0.99998 0.99998 1.00000 1.00001
1.00000 1.00002 1.00000 1.00000 1.00002
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 1.00000 1.00003 1.00002 1.00003
1.00002 1.00001 0.99999 1.00001 1.00001
1.00000 1.00000 1.00001 1.00001 1.00000
1.00001 1.00002 0.99999 1.00004 0.99999
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> 2403302133521627559.eigenfacs
Openam> file on opening on unit 10:
2403302133521627559.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403302133521627559.atom
Openam> file on opening on unit 11:
2403302133521627559.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 = 530
First residue number = 4
Last residue number = 542
Number of atoms found = 8154
Mean number per residue = 15.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9655E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9879E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-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: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 18.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 20.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 21.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 23.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 26.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 27.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 29.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 31.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 32.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 34.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 36.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 36.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 39.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 41.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 45.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 48.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 49.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 51.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 53.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 54.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 56.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 58.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 58.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 60.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 62.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 64.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 65.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 67.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 68.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 71.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 72.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 73.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 75.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 76.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 77.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 78.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 80.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 81.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 84.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 86.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 87.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 88.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 90.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 91.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 92.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 93.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 95.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 95.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 98.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 100.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 104.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 107.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 110.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 111.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 112.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 117.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 117.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 119.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 120.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 122.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 123.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 125.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 125.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 127.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 130.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 130.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 133.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 133.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 134.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 135.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 136.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 137.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 138.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 139.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 141.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 143.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 143.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 145.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 145.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 148.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 150.6
Bfactors> 106 vectors, 24462 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 : 6.230000
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 2403302133521627559 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=0
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=100
2403302133521627559.eigenfacs
2403302133521627559.atom
making animated gifs
11 models are in 2403302133521627559.7.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 2403302133521627559.7.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 2403302133521627559.7.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 2403302133521627559 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=0
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=100
2403302133521627559.eigenfacs
2403302133521627559.atom
making animated gifs
11 models are in 2403302133521627559.8.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 2403302133521627559.8.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 2403302133521627559.8.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 2403302133521627559 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=0
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=100
2403302133521627559.eigenfacs
2403302133521627559.atom
making animated gifs
11 models are in 2403302133521627559.9.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 2403302133521627559.9.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 2403302133521627559.9.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 2403302133521627559 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=0
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=100
2403302133521627559.eigenfacs
2403302133521627559.atom
making animated gifs
11 models are in 2403302133521627559.10.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 2403302133521627559.10.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 2403302133521627559.10.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 2403302133521627559 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=-20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=0
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=20
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=40
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=60
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=80
2403302133521627559.eigenfacs
2403302133521627559.atom
calculating perturbed structure for DQ=100
2403302133521627559.eigenfacs
2403302133521627559.atom
making animated gifs
11 models are in 2403302133521627559.11.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 2403302133521627559.11.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 2403302133521627559.11.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
2403302133521627559.10.pdb
2403302133521627559.11.pdb
2403302133521627559.7.pdb
2403302133521627559.8.pdb
2403302133521627559.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m39.753s
user 0m39.568s
sys 0m0.160s
../../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: 2403302133521627559.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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