*** bacteriorhodopsin ***
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 = 2404222055381936730.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 2404222055381936730.atom to be opened.
Openam> File opened: 2404222055381936730.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 = 231
First residue number = 4
Last residue number = 234
Number of atoms found = 3628
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= -14.052502 +/- 6.619904 From: -31.881000 To: 1.433000
= -15.015162 +/- 9.510794 From: -40.433000 To: 4.685000
= 1.194760 +/- 14.336191 From: -29.397000 To: 38.003000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.4334 % Filled.
Pdbmat> 2626185 non-zero elements.
Pdbmat> 289428 atom-atom interactions.
Pdbmat> Number per atom= 159.55 +/- 45.12
Maximum number = 241
Minimum number = 21
Pdbmat> Matrix trace = 5.788560E+06
Pdbmat> Larger element = 888.582
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
231 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 = 2404222055381936730.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 2404222055381936730.atom to be opened.
Openam> file on opening on unit 11:
2404222055381936730.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3628 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> 231 residues.
Blocpdb> 32 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 33
Blocpdb> 29 atoms in block 3
Block first atom: 64
Blocpdb> 43 atoms in block 4
Block first atom: 93
Blocpdb> 43 atoms in block 5
Block first atom: 136
Blocpdb> 29 atoms in block 6
Block first atom: 179
Blocpdb> 21 atoms in block 7
Block first atom: 208
Blocpdb> 29 atoms in block 8
Block first atom: 229
Blocpdb> 24 atoms in block 9
Block first atom: 258
Blocpdb> 26 atoms in block 10
Block first atom: 282
Blocpdb> 33 atoms in block 11
Block first atom: 308
Blocpdb> 41 atoms in block 12
Block first atom: 341
Blocpdb> 35 atoms in block 13
Block first atom: 382
Blocpdb> 29 atoms in block 14
Block first atom: 417
Blocpdb> 24 atoms in block 15
Block first atom: 446
Blocpdb> 27 atoms in block 16
Block first atom: 470
Blocpdb> 26 atoms in block 17
Block first atom: 497
Blocpdb> 22 atoms in block 18
Block first atom: 523
Blocpdb> 44 atoms in block 19
Block first atom: 545
Blocpdb> 41 atoms in block 20
Block first atom: 589
Blocpdb> 29 atoms in block 21
Block first atom: 630
Blocpdb> 28 atoms in block 22
Block first atom: 659
Blocpdb> 35 atoms in block 23
Block first atom: 687
Blocpdb> 24 atoms in block 24
Block first atom: 722
Blocpdb> 29 atoms in block 25
Block first atom: 746
Blocpdb> 34 atoms in block 26
Block first atom: 775
Blocpdb> 38 atoms in block 27
Block first atom: 809
Blocpdb> 30 atoms in block 28
Block first atom: 847
Blocpdb> 36 atoms in block 29
Block first atom: 877
Blocpdb> 26 atoms in block 30
Block first atom: 913
Blocpdb> 28 atoms in block 31
Block first atom: 939
Blocpdb> 33 atoms in block 32
Block first atom: 967
Blocpdb> 33 atoms in block 33
Block first atom: 1000
Blocpdb> 34 atoms in block 34
Block first atom: 1033
Blocpdb> 14 atoms in block 35
Block first atom: 1067
Blocpdb> 32 atoms in block 36
Block first atom: 1081
Blocpdb> 28 atoms in block 37
Block first atom: 1113
Blocpdb> 40 atoms in block 38
Block first atom: 1141
Blocpdb> 34 atoms in block 39
Block first atom: 1181
Blocpdb> 45 atoms in block 40
Block first atom: 1215
Blocpdb> 22 atoms in block 41
Block first atom: 1260
Blocpdb> 43 atoms in block 42
Block first atom: 1282
Blocpdb> 34 atoms in block 43
Block first atom: 1325
Blocpdb> 28 atoms in block 44
Block first atom: 1359
Blocpdb> 38 atoms in block 45
Block first atom: 1387
Blocpdb> 38 atoms in block 46
Block first atom: 1425
Blocpdb> 31 atoms in block 47
Block first atom: 1463
Blocpdb> 29 atoms in block 48
Block first atom: 1494
Blocpdb> 35 atoms in block 49
Block first atom: 1523
Blocpdb> 22 atoms in block 50
Block first atom: 1558
Blocpdb> 29 atoms in block 51
Block first atom: 1580
Blocpdb> 21 atoms in block 52
Block first atom: 1609
Blocpdb> 38 atoms in block 53
Block first atom: 1630
Blocpdb> 29 atoms in block 54
Block first atom: 1668
Blocpdb> 23 atoms in block 55
Block first atom: 1697
Blocpdb> 22 atoms in block 56
Block first atom: 1720
Blocpdb> 26 atoms in block 57
Block first atom: 1742
Blocpdb> 36 atoms in block 58
Block first atom: 1768
Blocpdb> 21 atoms in block 59
Block first atom: 1804
Blocpdb> 26 atoms in block 60
Block first atom: 1825
Blocpdb> 23 atoms in block 61
Block first atom: 1851
Blocpdb> 29 atoms in block 62
Block first atom: 1874
Blocpdb> 36 atoms in block 63
Block first atom: 1903
Blocpdb> 37 atoms in block 64
Block first atom: 1939
Blocpdb> 32 atoms in block 65
Block first atom: 1976
Blocpdb> 44 atoms in block 66
Block first atom: 2008
Blocpdb> 40 atoms in block 67
Block first atom: 2052
Blocpdb> 34 atoms in block 68
Block first atom: 2092
Blocpdb> 30 atoms in block 69
Block first atom: 2126
Blocpdb> 24 atoms in block 70
Block first atom: 2156
Blocpdb> 27 atoms in block 71
Block first atom: 2180
Blocpdb> 40 atoms in block 72
Block first atom: 2207
Blocpdb> 38 atoms in block 73
Block first atom: 2247
Blocpdb> 37 atoms in block 74
Block first atom: 2285
Blocpdb> 39 atoms in block 75
Block first atom: 2322
Blocpdb> 27 atoms in block 76
Block first atom: 2361
Blocpdb> 34 atoms in block 77
Block first atom: 2388
Blocpdb> 33 atoms in block 78
Block first atom: 2422
Blocpdb> 25 atoms in block 79
Block first atom: 2455
Blocpdb> 28 atoms in block 80
Block first atom: 2480
Blocpdb> 38 atoms in block 81
Block first atom: 2508
Blocpdb> 31 atoms in block 82
Block first atom: 2546
Blocpdb> 21 atoms in block 83
Block first atom: 2577
Blocpdb> 34 atoms in block 84
Block first atom: 2598
Blocpdb> 38 atoms in block 85
Block first atom: 2632
Blocpdb> 43 atoms in block 86
Block first atom: 2670
Blocpdb> 30 atoms in block 87
Block first atom: 2713
Blocpdb> 30 atoms in block 88
Block first atom: 2743
Blocpdb> 35 atoms in block 89
Block first atom: 2773
Blocpdb> 35 atoms in block 90
Block first atom: 2808
Blocpdb> 31 atoms in block 91
Block first atom: 2843
Blocpdb> 30 atoms in block 92
Block first atom: 2874
Blocpdb> 40 atoms in block 93
Block first atom: 2904
Blocpdb> 38 atoms in block 94
Block first atom: 2944
Blocpdb> 18 atoms in block 95
Block first atom: 2982
Blocpdb> 22 atoms in block 96
Block first atom: 3000
Blocpdb> 17 atoms in block 97
Block first atom: 3022
Blocpdb> 35 atoms in block 98
Block first atom: 3039
Blocpdb> 33 atoms in block 99
Block first atom: 3074
Blocpdb> 33 atoms in block 100
Block first atom: 3107
Blocpdb> 29 atoms in block 101
Block first atom: 3140
Blocpdb> 38 atoms in block 102
Block first atom: 3169
Blocpdb> 37 atoms in block 103
Block first atom: 3207
Blocpdb> 35 atoms in block 104
Block first atom: 3244
Blocpdb> 28 atoms in block 105
Block first atom: 3279
Blocpdb> 21 atoms in block 106
Block first atom: 3307
Blocpdb> 36 atoms in block 107
Block first atom: 3328
Blocpdb> 27 atoms in block 108
Block first atom: 3364
Blocpdb> 26 atoms in block 109
Block first atom: 3391
Blocpdb> 38 atoms in block 110
Block first atom: 3417
Blocpdb> 43 atoms in block 111
Block first atom: 3455
Blocpdb> 35 atoms in block 112
Block first atom: 3498
Blocpdb> 29 atoms in block 113
Block first atom: 3533
Blocpdb> 27 atoms in block 114
Block first atom: 3562
Blocpdb> 25 atoms in block 115
Block first atom: 3589
Blocpdb> 15 atoms in block 116
Block first atom: 3613
Blocpdb> 116 blocks.
Blocpdb> At most, 45 atoms in each of them.
Blocpdb> At least, 14 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 2626301 matrix lines read.
Prepmat> Matrix order = 10884
Prepmat> Matrix trace = 5788560.0000
Prepmat> Last element read: 10884 10884 121.8719
Prepmat> 6787 lines saved.
Prepmat> 5405 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: 3628
RTB> Total mass = 3628.0000
RTB> Number of atoms found in matrix: 3628
RTB> Number of blocks = 116
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 309897.5322
RTB> 47976 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 = 696
Diagstd> Nb of non-zero elements: 47976
Diagstd> Projected matrix trace = 309897.5322
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 696 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 309897.5322
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.7110969 5.3406341 7.1513742 7.3729693
8.2244232 13.5890802 17.7477256 21.6888197 22.6961749
24.6927797 27.2141426 28.1252597 30.5011090 32.9996028
33.3923601 37.0634278 38.1994743 41.8785339 44.3345516
47.1382306 49.3305794 52.3774976 53.0221373 54.2785031
56.0905259 58.8348548 60.6107464 62.7463789 64.2596004
66.0086293 69.2972697 70.8055385 71.3680024 72.7823444
75.7104350 76.7615006 79.5390830 80.6623852 82.8220328
84.4133200 86.6285929 88.2600671 89.2883316 91.4216733
92.6254101 95.8189647 96.4040014 100.8456775 101.8953782
103.7870253 106.0618287 107.7897799 109.3395330 110.7513641
114.4686783 115.2541113 118.5870121 119.0093223 121.5698526
124.2064718 128.1488821 129.0848550 130.1068738 131.6713610
132.0614227 133.7188439 136.1870259 137.2018787 140.1640889
141.0724765 142.8324980 144.6865818 147.6239393 148.5163236
149.6678978 151.8015196 152.7251759 154.5772362 156.6879151
156.8842361 159.1220902 161.2020813 162.3226794 165.3980350
166.7592941 167.3546294 168.9532371 169.5209874 171.6348779
172.1430227 175.4320807 176.6651946 177.3978581 180.5464911
182.0635352 182.9257546 184.4930190 185.0301582 186.3953284
188.9553861
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034323 0.0034325 0.0034328 0.0034333
0.0034362 142.0471692 250.9525962 290.3956002 294.8604288
311.4210793 400.3043511 457.4742285 505.7236215 517.3347065
539.6103501 566.4904699 575.8953221 599.7263009 623.8061272
627.5073800 661.1013919 671.1567673 702.7340786 723.0468534
745.5588312 762.6993713 785.9006596 790.7221327 800.0354134
813.2798950 832.9378991 845.4152863 860.1805419 870.4910107
882.2580658 903.9685936 913.7531675 917.3753171 926.4208073
944.8723732 951.4084589 968.4686574 975.2833508 988.2531860
997.7018349 1010.7084822 1020.1814133 1026.1069618 1038.2928499
1045.1060270 1062.9700234 1066.2101447 1090.4956170 1096.1563979
1106.2844616 1118.3425159 1127.4156857 1135.4915001 1142.7989226
1161.8193744 1165.7985035 1182.5345647 1184.6383050 1197.3144540
1210.2285474 1229.2853082 1233.7663638 1238.6408569 1246.0657033
1247.9100035 1255.7164595 1267.2524751 1271.9654339 1285.6230769
1289.7823377 1297.8030668 1306.1991853 1319.3914802 1323.3733218
1328.4940378 1337.9298397 1341.9940717 1350.1065657 1359.2928462
1360.1441374 1369.8105849 1378.7343717 1383.5182162 1396.5627469
1402.2979666 1404.7988580 1411.4923829 1413.8619827 1422.6499501
1424.7543532 1438.3010168 1443.3470815 1446.3368992 1459.1159552
1465.2332519 1468.6986915 1474.9770031 1477.1225914 1482.5617531
1492.7081985
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3628
Rtb_to_modes> Number of blocs = 116
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: 9.9874E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9904E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9918E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9959E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.711
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.341
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.151
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.373
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.224
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 13.59
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 21.69
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 22.70
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 24.69
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 28.13
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 30.50
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 33.00
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 33.39
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 37.06
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 38.20
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 41.88
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 44.33
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 47.14
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 49.33
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 52.38
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 53.02
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 54.28
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 56.09
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 58.83
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 60.61
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 62.75
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 64.26
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 66.01
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 69.30
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 70.81
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 71.37
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 72.78
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 75.71
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 76.76
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 79.54
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 80.66
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 82.82
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 84.41
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 86.63
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 88.26
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 89.29
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 91.42
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 92.63
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 95.82
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 96.40
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 100.8
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 101.9
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 103.8
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 106.1
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 107.8
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 109.3
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 110.8
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 114.5
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 115.3
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 118.6
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 119.0
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 124.2
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 128.1
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 129.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 130.1
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 131.7
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 132.1
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 133.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 136.2
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 137.2
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 140.2
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 141.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 142.8
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 144.7
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 147.6
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 148.5
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 149.7
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 151.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 152.7
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 154.6
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 156.7
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 156.9
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 159.1
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 161.2
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 162.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 165.4
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 166.8
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 167.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 169.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 169.5
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 171.6
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 172.1
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 175.4
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 176.7
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 177.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 180.5
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 182.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 182.9
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 184.5
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 185.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 186.4
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 189.0
Rtb_to_modes> 106 vectors, with 696 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 0.99998 0.99998 1.00000
1.00002 1.00004 1.00002 1.00004 1.00003
0.99998 0.99999 1.00000 1.00001 1.00003
0.99997 1.00000 0.99998 0.99999 0.99999
1.00003 1.00000 0.99999 0.99997 1.00003
1.00000 0.99997 1.00000 1.00000 0.99997
1.00001 0.99996 0.99998 1.00000 1.00002
1.00002 1.00000 1.00000 1.00003 1.00002
0.99998 1.00003 1.00000 0.99999 1.00003
0.99998 1.00003 0.99999 1.00002 1.00001
1.00000 0.99999 0.99999 0.99998 1.00000
1.00002 1.00001 1.00000 1.00001 0.99999
0.99999 0.99998 0.99998 0.99999 0.99999
0.99997 0.99999 1.00000 1.00001 1.00000
1.00002 1.00001 1.00000 1.00000 1.00001
1.00002 1.00003 1.00000 1.00000 0.99999
0.99998 0.99999 0.99998 1.00000 0.99999
0.99999 1.00002 1.00000 1.00000 1.00000
1.00002 0.99999 1.00001 1.00000 0.99998
0.99999 0.99998 0.99999 1.00001 1.00002
1.00001 0.99999 1.00000 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 65304 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 0.99998 0.99998 1.00000
1.00002 1.00004 1.00002 1.00004 1.00003
0.99998 0.99999 1.00000 1.00001 1.00003
0.99997 1.00000 0.99998 0.99999 0.99999
1.00003 1.00000 0.99999 0.99997 1.00003
1.00000 0.99997 1.00000 1.00000 0.99997
1.00001 0.99996 0.99998 1.00000 1.00002
1.00002 1.00000 1.00000 1.00003 1.00002
0.99998 1.00003 1.00000 0.99999 1.00003
0.99998 1.00003 0.99999 1.00002 1.00001
1.00000 0.99999 0.99999 0.99998 1.00000
1.00002 1.00001 1.00000 1.00001 0.99999
0.99999 0.99998 0.99998 0.99999 0.99999
0.99997 0.99999 1.00000 1.00001 1.00000
1.00002 1.00001 1.00000 1.00000 1.00001
1.00002 1.00003 1.00000 1.00000 0.99999
0.99998 0.99999 0.99998 1.00000 0.99999
0.99999 1.00002 1.00000 1.00000 1.00000
1.00002 0.99999 1.00001 1.00000 0.99998
0.99999 0.99998 0.99999 1.00001 1.00002
1.00001 0.99999 1.00000 1.00000 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> 2404222055381936730.eigenfacs
Openam> file on opening on unit 10:
2404222055381936730.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404222055381936730.atom
Openam> file on opening on unit 11:
2404222055381936730.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 = 231
First residue number = 4
Last residue number = 234
Number of atoms found = 3628
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9904E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9918E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9959E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 21.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 22.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 24.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 28.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 30.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 33.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 33.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 37.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 38.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 41.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 44.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 47.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 49.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 52.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 53.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 54.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 56.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 58.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 60.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 62.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 64.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 66.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 69.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 70.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 71.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 72.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 75.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 76.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 79.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 80.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 82.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 84.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 86.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 88.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 89.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 91.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 92.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 95.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 96.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 100.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 101.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 103.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 106.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 107.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 109.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 110.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 114.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 115.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 118.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 119.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 124.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 128.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 129.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 130.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 131.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 132.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 133.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 136.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 137.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 140.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 141.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 142.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 144.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 147.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 148.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 149.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 151.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 152.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 154.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 156.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 156.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 159.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 161.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 162.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 165.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 166.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 167.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 169.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 169.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 171.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 172.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 175.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 176.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 177.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 180.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 182.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 182.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 184.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 185.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 186.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 189.0
Bfactors> 106 vectors, 10884 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.711000
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= 0.239 for 231 C-alpha atoms.
Bfactors> = 0.008 +/- 0.03
Bfactors> = 46.644 +/- 15.18
Bfactors> Shiftng-fct= 46.636
Bfactors> Scaling-fct= 447.317
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404222055381936730 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=0
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=100
2404222055381936730.eigenfacs
2404222055381936730.atom
making animated gifs
11 models are in 2404222055381936730.7.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 2404222055381936730.7.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 2404222055381936730.7.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 2404222055381936730 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=0
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=100
2404222055381936730.eigenfacs
2404222055381936730.atom
making animated gifs
11 models are in 2404222055381936730.8.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 2404222055381936730.8.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 2404222055381936730.8.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 2404222055381936730 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=0
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=100
2404222055381936730.eigenfacs
2404222055381936730.atom
making animated gifs
11 models are in 2404222055381936730.9.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 2404222055381936730.9.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 2404222055381936730.9.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 2404222055381936730 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=0
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=100
2404222055381936730.eigenfacs
2404222055381936730.atom
making animated gifs
11 models are in 2404222055381936730.10.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 2404222055381936730.10.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 2404222055381936730.10.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 2404222055381936730 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=-20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=0
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=20
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=40
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=60
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=80
2404222055381936730.eigenfacs
2404222055381936730.atom
calculating perturbed structure for DQ=100
2404222055381936730.eigenfacs
2404222055381936730.atom
making animated gifs
11 models are in 2404222055381936730.11.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 2404222055381936730.11.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 2404222055381936730.11.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
2404222055381936730.10.pdb
2404222055381936730.11.pdb
2404222055381936730.7.pdb
2404222055381936730.8.pdb
2404222055381936730.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.365s
user 0m10.313s
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: 2404222055381936730.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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