*** neuramarta ***
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 = 2403291015321335719.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 2403291015321335719.atom to be opened.
Openam> File opened: 2403291015321335719.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 = 385
First residue number = 82
Last residue number = 1850
Number of atoms found = 3015
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 6.782994 +/- 10.908569 From: -19.922000 To: 33.404000
= -27.343041 +/- 10.874339 From: -51.189000 To: 1.122000
= -69.996935 +/- 11.368974 From: -95.544000 To: -39.553000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DAN ' is not a well known amino-acid.
%Pdbmat-W> 1 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 3.0435 % Filled.
Pdbmat> 1245109 non-zero elements.
Pdbmat> 136356 atom-atom interactions.
Pdbmat> Number per atom= 90.45 +/- 24.26
Maximum number = 145
Minimum number = 11
Pdbmat> Matrix trace = 2.727120E+06
Pdbmat> Larger element = 513.263
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
385 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403291015321335719.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403291015321335719.atom to be opened.
Openam> file on opening on unit 11:
2403291015321335719.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3015 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 385 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 38
Blocpdb> 13 atoms in block 4
Block first atom: 50
Blocpdb> 16 atoms in block 5
Block first atom: 63
Blocpdb> 13 atoms in block 6
Block first atom: 79
Blocpdb> 16 atoms in block 7
Block first atom: 92
Blocpdb> 18 atoms in block 8
Block first atom: 108
Blocpdb> 12 atoms in block 9
Block first atom: 126
Blocpdb> 14 atoms in block 10
Block first atom: 138
Blocpdb> 17 atoms in block 11
Block first atom: 152
Blocpdb> 12 atoms in block 12
Block first atom: 169
Blocpdb> 19 atoms in block 13
Block first atom: 181
Blocpdb> 12 atoms in block 14
Block first atom: 200
Blocpdb> 17 atoms in block 15
Block first atom: 212
Blocpdb> 13 atoms in block 16
Block first atom: 229
Blocpdb> 18 atoms in block 17
Block first atom: 242
Blocpdb> 15 atoms in block 18
Block first atom: 260
Blocpdb> 20 atoms in block 19
Block first atom: 275
Blocpdb> 18 atoms in block 20
Block first atom: 295
Blocpdb> 14 atoms in block 21
Block first atom: 313
Blocpdb> 12 atoms in block 22
Block first atom: 327
Blocpdb> 16 atoms in block 23
Block first atom: 339
Blocpdb> 15 atoms in block 24
Block first atom: 355
Blocpdb> 18 atoms in block 25
Block first atom: 370
Blocpdb> 22 atoms in block 26
Block first atom: 388
Blocpdb> 15 atoms in block 27
Block first atom: 410
Blocpdb> 13 atoms in block 28
Block first atom: 425
Blocpdb> 13 atoms in block 29
Block first atom: 438
Blocpdb> 16 atoms in block 30
Block first atom: 451
Blocpdb> 17 atoms in block 31
Block first atom: 467
Blocpdb> 16 atoms in block 32
Block first atom: 484
Blocpdb> 12 atoms in block 33
Block first atom: 500
Blocpdb> 14 atoms in block 34
Block first atom: 512
Blocpdb> 17 atoms in block 35
Block first atom: 526
Blocpdb> 17 atoms in block 36
Block first atom: 543
Blocpdb> 18 atoms in block 37
Block first atom: 560
Blocpdb> 18 atoms in block 38
Block first atom: 578
Blocpdb> 16 atoms in block 39
Block first atom: 596
Blocpdb> 12 atoms in block 40
Block first atom: 612
Blocpdb> 15 atoms in block 41
Block first atom: 624
Blocpdb> 11 atoms in block 42
Block first atom: 639
Blocpdb> 12 atoms in block 43
Block first atom: 650
Blocpdb> 13 atoms in block 44
Block first atom: 662
Blocpdb> 6 atoms in block 45
Block first atom: 675
Blocpdb> 14 atoms in block 46
Block first atom: 681
Blocpdb> 22 atoms in block 47
Block first atom: 695
Blocpdb> 15 atoms in block 48
Block first atom: 717
Blocpdb> 12 atoms in block 49
Block first atom: 732
Blocpdb> 20 atoms in block 50
Block first atom: 744
Blocpdb> 12 atoms in block 51
Block first atom: 764
Blocpdb> 11 atoms in block 52
Block first atom: 776
Blocpdb> 14 atoms in block 53
Block first atom: 787
Blocpdb> 11 atoms in block 54
Block first atom: 801
Blocpdb> 18 atoms in block 55
Block first atom: 812
Blocpdb> 15 atoms in block 56
Block first atom: 830
Blocpdb> 12 atoms in block 57
Block first atom: 845
Blocpdb> 15 atoms in block 58
Block first atom: 857
Blocpdb> 11 atoms in block 59
Block first atom: 872
Blocpdb> 13 atoms in block 60
Block first atom: 883
Blocpdb> 12 atoms in block 61
Block first atom: 896
Blocpdb> 12 atoms in block 62
Block first atom: 908
Blocpdb> 15 atoms in block 63
Block first atom: 920
Blocpdb> 21 atoms in block 64
Block first atom: 935
Blocpdb> 12 atoms in block 65
Block first atom: 956
Blocpdb> 16 atoms in block 66
Block first atom: 968
Blocpdb> 15 atoms in block 67
Block first atom: 984
Blocpdb> 15 atoms in block 68
Block first atom: 999
Blocpdb> 15 atoms in block 69
Block first atom: 1014
Blocpdb> 23 atoms in block 70
Block first atom: 1029
Blocpdb> 12 atoms in block 71
Block first atom: 1052
Blocpdb> 16 atoms in block 72
Block first atom: 1064
Blocpdb> 18 atoms in block 73
Block first atom: 1080
Blocpdb> 18 atoms in block 74
Block first atom: 1098
Blocpdb> 15 atoms in block 75
Block first atom: 1116
Blocpdb> 13 atoms in block 76
Block first atom: 1131
Blocpdb> 15 atoms in block 77
Block first atom: 1144
Blocpdb> 17 atoms in block 78
Block first atom: 1159
Blocpdb> 17 atoms in block 79
Block first atom: 1176
Blocpdb> 19 atoms in block 80
Block first atom: 1193
Blocpdb> 16 atoms in block 81
Block first atom: 1212
Blocpdb> 15 atoms in block 82
Block first atom: 1228
Blocpdb> 11 atoms in block 83
Block first atom: 1243
Blocpdb> 14 atoms in block 84
Block first atom: 1254
Blocpdb> 14 atoms in block 85
Block first atom: 1268
Blocpdb> 16 atoms in block 86
Block first atom: 1282
Blocpdb> 21 atoms in block 87
Block first atom: 1298
Blocpdb> 16 atoms in block 88
Block first atom: 1319
Blocpdb> 17 atoms in block 89
Block first atom: 1335
Blocpdb> 18 atoms in block 90
Block first atom: 1352
Blocpdb> 13 atoms in block 91
Block first atom: 1370
Blocpdb> 15 atoms in block 92
Block first atom: 1383
Blocpdb> 13 atoms in block 93
Block first atom: 1398
Blocpdb> 17 atoms in block 94
Block first atom: 1411
Blocpdb> 15 atoms in block 95
Block first atom: 1428
Blocpdb> 12 atoms in block 96
Block first atom: 1443
Blocpdb> 15 atoms in block 97
Block first atom: 1455
Blocpdb> 21 atoms in block 98
Block first atom: 1470
Blocpdb> 18 atoms in block 99
Block first atom: 1491
Blocpdb> 12 atoms in block 100
Block first atom: 1509
Blocpdb> 18 atoms in block 101
Block first atom: 1521
Blocpdb> 13 atoms in block 102
Block first atom: 1539
Blocpdb> 13 atoms in block 103
Block first atom: 1552
Blocpdb> 15 atoms in block 104
Block first atom: 1565
Blocpdb> 15 atoms in block 105
Block first atom: 1580
Blocpdb> 13 atoms in block 106
Block first atom: 1595
Blocpdb> 19 atoms in block 107
Block first atom: 1608
Blocpdb> 22 atoms in block 108
Block first atom: 1627
Blocpdb> 15 atoms in block 109
Block first atom: 1649
Blocpdb> 14 atoms in block 110
Block first atom: 1664
Blocpdb> 18 atoms in block 111
Block first atom: 1678
Blocpdb> 22 atoms in block 112
Block first atom: 1696
Blocpdb> 22 atoms in block 113
Block first atom: 1718
Blocpdb> 8 atoms in block 114
Block first atom: 1740
Blocpdb> 14 atoms in block 115
Block first atom: 1748
Blocpdb> 16 atoms in block 116
Block first atom: 1762
Blocpdb> 21 atoms in block 117
Block first atom: 1778
Blocpdb> 12 atoms in block 118
Block first atom: 1799
Blocpdb> 19 atoms in block 119
Block first atom: 1811
Blocpdb> 12 atoms in block 120
Block first atom: 1830
Blocpdb> 11 atoms in block 121
Block first atom: 1842
Blocpdb> 15 atoms in block 122
Block first atom: 1853
Blocpdb> 16 atoms in block 123
Block first atom: 1868
Blocpdb> 18 atoms in block 124
Block first atom: 1884
Blocpdb> 15 atoms in block 125
Block first atom: 1902
Blocpdb> 8 atoms in block 126
Block first atom: 1917
Blocpdb> 13 atoms in block 127
Block first atom: 1925
Blocpdb> 10 atoms in block 128
Block first atom: 1938
Blocpdb> 14 atoms in block 129
Block first atom: 1948
Blocpdb> 13 atoms in block 130
Block first atom: 1962
Blocpdb> 24 atoms in block 131
Block first atom: 1975
Blocpdb> 13 atoms in block 132
Block first atom: 1999
Blocpdb> 15 atoms in block 133
Block first atom: 2012
Blocpdb> 16 atoms in block 134
Block first atom: 2027
Blocpdb> 16 atoms in block 135
Block first atom: 2043
Blocpdb> 15 atoms in block 136
Block first atom: 2059
Blocpdb> 17 atoms in block 137
Block first atom: 2074
Blocpdb> 23 atoms in block 138
Block first atom: 2091
Blocpdb> 12 atoms in block 139
Block first atom: 2114
Blocpdb> 11 atoms in block 140
Block first atom: 2126
Blocpdb> 22 atoms in block 141
Block first atom: 2137
Blocpdb> 15 atoms in block 142
Block first atom: 2159
Blocpdb> 16 atoms in block 143
Block first atom: 2174
Blocpdb> 14 atoms in block 144
Block first atom: 2190
Blocpdb> 15 atoms in block 145
Block first atom: 2204
Blocpdb> 17 atoms in block 146
Block first atom: 2219
Blocpdb> 15 atoms in block 147
Block first atom: 2236
Blocpdb> 17 atoms in block 148
Block first atom: 2251
Blocpdb> 21 atoms in block 149
Block first atom: 2268
Blocpdb> 13 atoms in block 150
Block first atom: 2289
Blocpdb> 12 atoms in block 151
Block first atom: 2302
Blocpdb> 21 atoms in block 152
Block first atom: 2314
Blocpdb> 13 atoms in block 153
Block first atom: 2335
Blocpdb> 17 atoms in block 154
Block first atom: 2348
Blocpdb> 14 atoms in block 155
Block first atom: 2365
Blocpdb> 12 atoms in block 156
Block first atom: 2379
Blocpdb> 16 atoms in block 157
Block first atom: 2391
Blocpdb> 16 atoms in block 158
Block first atom: 2407
Blocpdb> 16 atoms in block 159
Block first atom: 2423
Blocpdb> 16 atoms in block 160
Block first atom: 2439
Blocpdb> 22 atoms in block 161
Block first atom: 2455
Blocpdb> 10 atoms in block 162
Block first atom: 2477
Blocpdb> 18 atoms in block 163
Block first atom: 2487
Blocpdb> 10 atoms in block 164
Block first atom: 2505
Blocpdb> 17 atoms in block 165
Block first atom: 2515
Blocpdb> 8 atoms in block 166
Block first atom: 2532
Blocpdb> 31 atoms in block 167
Block first atom: 2540
Blocpdb> 11 atoms in block 168
Block first atom: 2571
Blocpdb> 19 atoms in block 169
Block first atom: 2582
Blocpdb> 13 atoms in block 170
Block first atom: 2601
Blocpdb> 14 atoms in block 171
Block first atom: 2614
Blocpdb> 17 atoms in block 172
Block first atom: 2628
Blocpdb> 21 atoms in block 173
Block first atom: 2645
Blocpdb> 17 atoms in block 174
Block first atom: 2666
Blocpdb> 19 atoms in block 175
Block first atom: 2683
Blocpdb> 13 atoms in block 176
Block first atom: 2702
Blocpdb> 16 atoms in block 177
Block first atom: 2715
Blocpdb> 9 atoms in block 178
Block first atom: 2731
Blocpdb> 16 atoms in block 179
Block first atom: 2740
Blocpdb> 22 atoms in block 180
Block first atom: 2756
Blocpdb> 13 atoms in block 181
Block first atom: 2778
Blocpdb> 10 atoms in block 182
Block first atom: 2791
Blocpdb> 14 atoms in block 183
Block first atom: 2801
Blocpdb> 16 atoms in block 184
Block first atom: 2815
Blocpdb> 10 atoms in block 185
Block first atom: 2831
Blocpdb> 15 atoms in block 186
Block first atom: 2841
Blocpdb> 14 atoms in block 187
Block first atom: 2856
Blocpdb> 14 atoms in block 188
Block first atom: 2870
Blocpdb> 18 atoms in block 189
Block first atom: 2884
Blocpdb> 20 atoms in block 190
Block first atom: 2902
Blocpdb> 15 atoms in block 191
Block first atom: 2922
Blocpdb> 9 atoms in block 192
Block first atom: 2937
Blocpdb> 16 atoms in block 193
Block first atom: 2946
Blocpdb> 18 atoms in block 194
Block first atom: 2962
Blocpdb> 16 atoms in block 195
Block first atom: 2980
Blocpdb> 20 atoms in block 196
Block first atom: 2995
Blocpdb> 196 blocks.
Blocpdb> At most, 31 atoms in each of them.
Blocpdb> At least, 6 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> 1245305 matrix lines read.
Prepmat> Matrix order = 9045
Prepmat> Matrix trace = 2727120.0000
Prepmat> Last element read: 9045 9045 270.7954
Prepmat> 19307 lines saved.
Prepmat> 16942 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: 3015
RTB> Total mass = 3015.0000
RTB> Number of atoms found in matrix: 3015
RTB> Number of blocks = 196
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 305672.9902
RTB> 82164 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 = 1176
Diagstd> Nb of non-zero elements: 82164
Diagstd> Projected matrix trace = 305672.9902
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1176 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 305672.9902
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 5.8289394 7.4422726 8.5783674 10.7521098
11.3752042 12.6992153 14.1659515 15.1839839 15.9210588
17.1013900 17.6036733 19.4250536 19.9110371 20.3050762
20.7411947 21.1387783 22.0627701 22.9591287 25.1614145
25.3104331 26.1036669 27.1579012 28.9319752 29.8527873
30.6968091 31.3085259 32.4443530 32.9052567 33.2587676
33.9990391 35.1062010 36.1105814 36.4810619 36.9815240
37.9453141 38.7235781 38.8483175 39.2098117 39.8842858
41.1136465 41.6683502 42.3383312 42.9462268 43.2198405
44.0271784 45.0280093 45.6556746 46.9390695 47.7974167
47.8649960 49.2644402 50.1193417 50.7419908 51.8509816
52.6197838 52.6843404 53.4432584 54.0712256 54.5663076
54.9031849 56.1245765 56.3263044 57.0947978 57.4119405
58.6265219 58.9449468 59.2180582 60.3404065 60.4833609
61.7916490 62.2062652 63.0723693 64.3492592 64.7278042
65.3266682 66.1226751 66.5606953 67.4558381 67.6885332
68.1804074 68.8158744 68.9785367 70.0100683 70.4882577
71.1603826 71.8282964 72.2423935 73.0726706 73.2812678
74.1539504 74.3712002 75.1361169 75.6917833 76.4604147
77.0064642 77.1787050 77.9761169 78.5443402 78.9922557
79.2386985
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034329 0.0034331 0.0034332 0.0034347
0.0034360 262.1742608 296.2429794 318.0516128 356.0755262
366.2476786 386.9757265 408.7127217 423.1439608 433.2925817
449.0668389 455.6138628 478.6040761 484.5540423 489.3252110
494.5522298 499.2697143 510.0647377 520.3229496 544.7068118
546.3174455 554.8122482 565.9048056 584.0961216 593.3182726
601.6471959 607.6123470 618.5357975 622.9137564 626.2508908
633.1820607 643.4090984 652.5480864 655.8869889 660.3705281
668.9202698 675.7452787 676.8327852 679.9745503 685.7979621
696.2869879 700.9683884 706.5813143 711.6357983 713.8991422
720.5360374 728.6796711 733.7407888 743.9821544 750.7537200
751.2842663 762.1879117 768.7727122 773.5333299 781.9406153
787.7162595 788.1993164 793.8560243 798.5063735 802.1536496
804.6259766 813.5267143 814.9874280 820.5282727 822.8039981
831.4618846 833.7168334 835.6460437 843.5277918 844.5264156
853.6113336 856.4703719 862.4121233 871.0980793 873.6565105
877.6887560 883.0198936 885.9397851 891.8771788 893.4141609
896.6543840 900.8232706 901.8872946 908.6058545 911.7035972
916.0399566 920.3289076 922.9779877 928.2666983 929.5906937
935.1094081 936.4782070 941.2817827 944.7559788 949.5407442
952.9253310 953.9904427 958.9061024 962.3936042 965.1338283
966.6381848
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3015
Rtb_to_modes> Number of blocs = 196
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9894E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9951E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.829
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.442
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.578
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 10.75
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 14.17
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 15.18
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 15.92
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.91
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.31
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 20.74
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 22.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 22.96
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.16
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 25.31
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 26.10
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 27.16
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 28.93
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 29.85
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 30.70
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 32.44
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 33.26
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 34.00
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 35.11
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 36.48
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 36.98
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 37.95
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 38.72
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 38.85
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 39.21
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 39.88
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 41.11
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 41.67
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 42.34
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 42.95
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 43.22
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 45.03
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 45.66
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 46.94
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.80
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.86
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 49.26
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 50.12
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 50.74
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 51.85
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 52.62
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 52.68
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 53.44
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 54.07
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.57
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 54.90
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 56.33
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 57.09
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.41
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.63
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.94
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.22
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.34
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.48
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.79
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 62.21
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 63.07
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 64.35
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 64.73
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.33
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 66.12
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 66.56
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 67.46
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 67.69
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 68.18
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.82
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.98
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 70.01
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 70.49
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 71.16
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 71.83
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 72.24
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 73.07
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 73.28
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 74.15
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 74.37
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 75.14
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 75.69
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 76.46
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 77.01
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 77.18
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 77.98
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 78.54
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 78.99
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 79.24
Rtb_to_modes> 106 vectors, with 1176 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 1.00000 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99999
1.00000 1.00000 0.99996 1.00002 1.00000
1.00000 1.00000 0.99998 1.00001 1.00000
1.00002 0.99999 0.99998 1.00001 0.99999
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 1.00002 0.99998 0.99999 1.00001
1.00000 1.00000 1.00002 1.00003 1.00001
1.00002 0.99999 1.00001 0.99999 1.00002
1.00001 1.00000 0.99999 1.00001 1.00000
1.00000 1.00000 1.00000 1.00001 0.99998
1.00002 1.00001 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99999 1.00000
1.00001 0.99999 0.99998 1.00000 1.00000
1.00000 1.00000 1.00001 0.99999 1.00003
0.99998 0.99998 0.99998 1.00000 1.00002
0.99998 1.00000 1.00000 0.99999 0.99998
0.99999 1.00001 0.99998 0.99999 1.00000
0.99998 0.99998 1.00000 0.99998 0.99998
1.00004 0.99997 1.00000 1.00000 1.00000
1.00000 1.00003 1.00001 0.99999 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 54270 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 1.00000 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99999
1.00000 1.00000 0.99996 1.00002 1.00000
1.00000 1.00000 0.99998 1.00001 1.00000
1.00002 0.99999 0.99998 1.00001 0.99999
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 1.00002 0.99998 0.99999 1.00001
1.00000 1.00000 1.00002 1.00003 1.00001
1.00002 0.99999 1.00001 0.99999 1.00002
1.00001 1.00000 0.99999 1.00001 1.00000
1.00000 1.00000 1.00000 1.00001 0.99998
1.00002 1.00001 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99999 1.00000
1.00001 0.99999 0.99998 1.00000 1.00000
1.00000 1.00000 1.00001 0.99999 1.00003
0.99998 0.99998 0.99998 1.00000 1.00002
0.99998 1.00000 1.00000 0.99999 0.99998
0.99999 1.00001 0.99998 0.99999 1.00000
0.99998 0.99998 1.00000 0.99998 0.99998
1.00004 0.99997 1.00000 1.00000 1.00000
1.00000 1.00003 1.00001 0.99999 1.00000
0.99998
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> 2403291015321335719.eigenfacs
Openam> file on opening on unit 10:
2403291015321335719.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403291015321335719.atom
Openam> file on opening on unit 11:
2403291015321335719.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 = 385
First residue number = 82
Last residue number = 1850
Number of atoms found = 3015
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 10.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 20.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 22.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 22.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 25.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 26.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 27.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 28.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 29.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 30.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 32.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 33.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 34.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 35.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 36.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 36.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 37.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 38.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 38.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 39.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 39.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 41.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 41.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 42.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 42.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 43.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 45.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 45.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 46.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 49.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 50.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 50.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 51.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 52.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 52.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 53.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 54.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 54.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 56.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 57.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 62.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 63.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 64.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 64.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 66.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 66.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 67.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 67.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 68.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 70.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 70.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 71.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 71.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 72.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 73.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 73.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 74.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 74.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 75.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 75.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 76.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 77.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 77.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 77.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 78.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 78.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 79.24
Bfactors> 106 vectors, 9045 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 : 5.829000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.291 for 388 C-alpha atoms.
Bfactors> = 0.013 +/- 0.01
Bfactors> = 15.497 +/- 8.98
Bfactors> Shiftng-fct= 15.484
Bfactors> Scaling-fct= 727.598
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403291015321335719 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=0
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=100
2403291015321335719.eigenfacs
2403291015321335719.atom
making animated gifs
11 models are in 2403291015321335719.7.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 2403291015321335719.7.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 2403291015321335719.7.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 2403291015321335719 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=0
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=100
2403291015321335719.eigenfacs
2403291015321335719.atom
making animated gifs
11 models are in 2403291015321335719.8.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 2403291015321335719.8.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 2403291015321335719.8.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 2403291015321335719 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=0
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=100
2403291015321335719.eigenfacs
2403291015321335719.atom
making animated gifs
11 models are in 2403291015321335719.9.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 2403291015321335719.9.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 2403291015321335719.9.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 2403291015321335719 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=0
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=100
2403291015321335719.eigenfacs
2403291015321335719.atom
making animated gifs
11 models are in 2403291015321335719.10.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 2403291015321335719.10.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 2403291015321335719.10.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 2403291015321335719 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=-20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=0
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=20
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=40
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=60
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=80
2403291015321335719.eigenfacs
2403291015321335719.atom
calculating perturbed structure for DQ=100
2403291015321335719.eigenfacs
2403291015321335719.atom
making animated gifs
11 models are in 2403291015321335719.11.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 2403291015321335719.11.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 2403291015321335719.11.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
2403291015321335719.10.pdb
2403291015321335719.11.pdb
2403291015321335719.7.pdb
2403291015321335719.8.pdb
2403291015321335719.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.865s
user 0m24.804s
sys 0m0.052s
../../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: 2403291015321335719.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: Warning: no %%BoundingBox statement in the input or command line. Will use defaults
pstopnm: Writing ppmraw format
mv: cannot stat '1337695.mode2gif001.ppm': No such file or directory
cp: cannot stat '1337695.mode2gif.1001.ppm': 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
convert-im6.q16: unable to open image `1337695.mode2gif.1001.ppm': No such file or directory @ error/blob.c/OpenBlob/2924.
convert-im6.q16: no images defined `2403291015321335719.10.x.0.thumb.gif' @ error/convert.c/ConvertImageCommand/3229.
pstopnm: Warning: no %%BoundingBox statement in the input or command line. Will use defaults
pstopnm: Writing ppmraw format
mv: cannot stat '1337827.mode2gif001.ppm': No such file or directory
cp: cannot stat '1337827.mode2gif.1001.ppm': 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
convert-im6.q16: unable to open image `1337827.mode2gif.1001.ppm': No such file or directory @ error/blob.c/OpenBlob/2924.
convert-im6.q16: no images defined `2403291015321335719.10.x.90.thumb.gif' @ error/convert.c/ConvertImageCommand/3229.
pstopnm: Warning: no %%BoundingBox statement in the input or command line. Will use defaults
pstopnm: Writing ppmraw format
mv: cannot stat '1337993.mode2gif001.ppm': No such file or directory
cp: cannot stat '1337993.mode2gif.1001.ppm': 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
convert-im6.q16: unable to open image `1337993.mode2gif.1001.ppm': No such file or directory @ error/blob.c/OpenBlob/2924.
convert-im6.q16: no images defined `2403291015321335719.10.y.90.thumb.gif' @ error/convert.c/ConvertImageCommand/3229.
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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