*** 1s2o ***
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 = 240416162948706600.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 240416162948706600.atom to be opened.
Openam> File opened: 240416162948706600.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 = 244
First residue number = 1
Last residue number = 244
Number of atoms found = 1920
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.968487 +/- 10.207234 From: -22.975000 To: 29.870000
= -0.303440 +/- 8.544264 From: -19.784000 To: 22.268000
= -1.176648 +/- 12.962348 From: -29.439000 To: 24.840000
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 4.3722 % Filled.
Pdbmat> 725418 non-zero elements.
Pdbmat> 79337 atom-atom interactions.
Pdbmat> Number per atom= 82.64 +/- 23.00
Maximum number = 129
Minimum number = 21
Pdbmat> Matrix trace = 1.586740E+06
Pdbmat> Larger element = 511.022
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
244 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 = 240416162948706600.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 240416162948706600.atom to be opened.
Openam> file on opening on unit 11:
240416162948706600.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1920 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> 244 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 17 atoms in block 2
Block first atom: 17
Blocpdb> 16 atoms in block 3
Block first atom: 34
Blocpdb> 14 atoms in block 4
Block first atom: 50
Blocpdb> 16 atoms in block 5
Block first atom: 64
Blocpdb> 16 atoms in block 6
Block first atom: 80
Blocpdb> 21 atoms in block 7
Block first atom: 96
Blocpdb> 11 atoms in block 8
Block first atom: 117
Blocpdb> 17 atoms in block 9
Block first atom: 128
Blocpdb> 10 atoms in block 10
Block first atom: 145
Blocpdb> 17 atoms in block 11
Block first atom: 155
Blocpdb> 18 atoms in block 12
Block first atom: 172
Blocpdb> 18 atoms in block 13
Block first atom: 190
Blocpdb> 20 atoms in block 14
Block first atom: 208
Blocpdb> 12 atoms in block 15
Block first atom: 228
Blocpdb> 22 atoms in block 16
Block first atom: 240
Blocpdb> 12 atoms in block 17
Block first atom: 262
Blocpdb> 23 atoms in block 18
Block first atom: 274
Blocpdb> 13 atoms in block 19
Block first atom: 297
Blocpdb> 17 atoms in block 20
Block first atom: 310
Blocpdb> 11 atoms in block 21
Block first atom: 327
Blocpdb> 17 atoms in block 22
Block first atom: 338
Blocpdb> 22 atoms in block 23
Block first atom: 355
Blocpdb> 11 atoms in block 24
Block first atom: 377
Blocpdb> 20 atoms in block 25
Block first atom: 388
Blocpdb> 17 atoms in block 26
Block first atom: 408
Blocpdb> 18 atoms in block 27
Block first atom: 425
Blocpdb> 11 atoms in block 28
Block first atom: 443
Blocpdb> 16 atoms in block 29
Block first atom: 454
Blocpdb> 16 atoms in block 30
Block first atom: 470
Blocpdb> 20 atoms in block 31
Block first atom: 486
Blocpdb> 22 atoms in block 32
Block first atom: 506
Blocpdb> 12 atoms in block 33
Block first atom: 528
Blocpdb> 11 atoms in block 34
Block first atom: 540
Blocpdb> 15 atoms in block 35
Block first atom: 551
Blocpdb> 20 atoms in block 36
Block first atom: 566
Blocpdb> 17 atoms in block 37
Block first atom: 586
Blocpdb> 13 atoms in block 38
Block first atom: 603
Blocpdb> 16 atoms in block 39
Block first atom: 616
Blocpdb> 19 atoms in block 40
Block first atom: 632
Blocpdb> 19 atoms in block 41
Block first atom: 651
Blocpdb> 20 atoms in block 42
Block first atom: 670
Blocpdb> 14 atoms in block 43
Block first atom: 690
Blocpdb> 19 atoms in block 44
Block first atom: 704
Blocpdb> 23 atoms in block 45
Block first atom: 723
Blocpdb> 19 atoms in block 46
Block first atom: 746
Blocpdb> 16 atoms in block 47
Block first atom: 765
Blocpdb> 14 atoms in block 48
Block first atom: 781
Blocpdb> 13 atoms in block 49
Block first atom: 795
Blocpdb> 12 atoms in block 50
Block first atom: 808
Blocpdb> 16 atoms in block 51
Block first atom: 820
Blocpdb> 13 atoms in block 52
Block first atom: 836
Blocpdb> 12 atoms in block 53
Block first atom: 849
Blocpdb> 15 atoms in block 54
Block first atom: 861
Blocpdb> 15 atoms in block 55
Block first atom: 876
Blocpdb> 18 atoms in block 56
Block first atom: 891
Blocpdb> 15 atoms in block 57
Block first atom: 909
Blocpdb> 23 atoms in block 58
Block first atom: 924
Blocpdb> 14 atoms in block 59
Block first atom: 947
Blocpdb> 22 atoms in block 60
Block first atom: 961
Blocpdb> 13 atoms in block 61
Block first atom: 983
Blocpdb> 16 atoms in block 62
Block first atom: 996
Blocpdb> 11 atoms in block 63
Block first atom: 1012
Blocpdb> 14 atoms in block 64
Block first atom: 1023
Blocpdb> 15 atoms in block 65
Block first atom: 1037
Blocpdb> 17 atoms in block 66
Block first atom: 1052
Blocpdb> 15 atoms in block 67
Block first atom: 1069
Blocpdb> 13 atoms in block 68
Block first atom: 1084
Blocpdb> 17 atoms in block 69
Block first atom: 1097
Blocpdb> 12 atoms in block 70
Block first atom: 1114
Blocpdb> 12 atoms in block 71
Block first atom: 1126
Blocpdb> 14 atoms in block 72
Block first atom: 1138
Blocpdb> 16 atoms in block 73
Block first atom: 1152
Blocpdb> 19 atoms in block 74
Block first atom: 1168
Blocpdb> 12 atoms in block 75
Block first atom: 1187
Blocpdb> 9 atoms in block 76
Block first atom: 1199
Blocpdb> 15 atoms in block 77
Block first atom: 1208
Blocpdb> 16 atoms in block 78
Block first atom: 1223
Blocpdb> 15 atoms in block 79
Block first atom: 1239
Blocpdb> 20 atoms in block 80
Block first atom: 1254
Blocpdb> 14 atoms in block 81
Block first atom: 1274
Blocpdb> 13 atoms in block 82
Block first atom: 1288
Blocpdb> 13 atoms in block 83
Block first atom: 1301
Blocpdb> 12 atoms in block 84
Block first atom: 1314
Blocpdb> 20 atoms in block 85
Block first atom: 1326
Blocpdb> 18 atoms in block 86
Block first atom: 1346
Blocpdb> 18 atoms in block 87
Block first atom: 1364
Blocpdb> 13 atoms in block 88
Block first atom: 1382
Blocpdb> 16 atoms in block 89
Block first atom: 1395
Blocpdb> 15 atoms in block 90
Block first atom: 1411
Blocpdb> 15 atoms in block 91
Block first atom: 1426
Blocpdb> 13 atoms in block 92
Block first atom: 1441
Blocpdb> 12 atoms in block 93
Block first atom: 1454
Blocpdb> 10 atoms in block 94
Block first atom: 1466
Blocpdb> 16 atoms in block 95
Block first atom: 1476
Blocpdb> 12 atoms in block 96
Block first atom: 1492
Blocpdb> 19 atoms in block 97
Block first atom: 1504
Blocpdb> 16 atoms in block 98
Block first atom: 1523
Blocpdb> 11 atoms in block 99
Block first atom: 1539
Blocpdb> 15 atoms in block 100
Block first atom: 1550
Blocpdb> 15 atoms in block 101
Block first atom: 1565
Blocpdb> 18 atoms in block 102
Block first atom: 1580
Blocpdb> 13 atoms in block 103
Block first atom: 1598
Blocpdb> 16 atoms in block 104
Block first atom: 1611
Blocpdb> 17 atoms in block 105
Block first atom: 1627
Blocpdb> 18 atoms in block 106
Block first atom: 1644
Blocpdb> 26 atoms in block 107
Block first atom: 1662
Blocpdb> 13 atoms in block 108
Block first atom: 1688
Blocpdb> 18 atoms in block 109
Block first atom: 1701
Blocpdb> 14 atoms in block 110
Block first atom: 1719
Blocpdb> 21 atoms in block 111
Block first atom: 1733
Blocpdb> 23 atoms in block 112
Block first atom: 1754
Blocpdb> 10 atoms in block 113
Block first atom: 1777
Blocpdb> 12 atoms in block 114
Block first atom: 1787
Blocpdb> 15 atoms in block 115
Block first atom: 1799
Blocpdb> 9 atoms in block 116
Block first atom: 1814
Blocpdb> 16 atoms in block 117
Block first atom: 1823
Blocpdb> 14 atoms in block 118
Block first atom: 1839
Blocpdb> 13 atoms in block 119
Block first atom: 1853
Blocpdb> 21 atoms in block 120
Block first atom: 1866
Blocpdb> 19 atoms in block 121
Block first atom: 1887
Blocpdb> 15 atoms in block 122
Block first atom: 1905
Blocpdb> 122 blocks.
Blocpdb> At most, 26 atoms in each of them.
Blocpdb> At least, 9 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> 725540 matrix lines read.
Prepmat> Matrix order = 5760
Prepmat> Matrix trace = 1586740.0000
Prepmat> Last element read: 5760 5760 119.1092
Prepmat> 7504 lines saved.
Prepmat> 6203 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: 1920
RTB> Total mass = 1920.0000
RTB> Number of atoms found in matrix: 1920
RTB> Number of blocks = 122
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 170849.3229
RTB> 44970 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 = 732
Diagstd> Nb of non-zero elements: 44970
Diagstd> Projected matrix trace = 170849.3229
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 732 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 170849.3229
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 1.1255711 1.4019094 3.0195493 5.4638661
7.7840006 10.1707806 11.9938797 12.8214392 13.7771884
15.0030209 15.7951516 17.9733453 19.4501453 20.6459032
22.0955513 23.5560327 24.3269596 25.1118893 26.4585716
26.5123354 28.2919718 28.6791704 30.6392365 31.7146972
32.8812089 33.8044009 34.5788409 36.2004375 36.5004449
37.6321174 37.8416184 38.7928407 39.9671189 41.1274582
41.8113765 43.6403232 43.8701000 44.7088108 46.2856564
46.5392429 48.5190452 49.4939646 49.7027445 50.7377105
51.0685565 51.9994173 52.2329738 53.7540325 54.1295168
54.5296521 56.4633822 57.3667166 57.4886138 57.8835959
58.1307252 58.4958831 60.8491816 61.7612299 62.0649271
62.2960290 63.8476734 64.5700415 65.0514062 66.8966750
67.4137266 68.4492115 68.7504289 70.5554324 70.9714521
71.6596089 72.5780128 73.7680639 75.0350410 75.2763211
76.6155647 77.1629557 77.8539776 78.6313355 79.6781239
80.2949964 80.8091934 81.5500492 82.1884029 82.9369812
83.5329276 84.1269620 84.9199147 85.6047293 86.3230793
86.5295659 87.3174788 88.0877813 88.4386954 89.4563564
89.7501697 90.6887944 91.1299091 92.1591805 92.5818533
93.9509090
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034341 0.0034345 0.0034346 0.0034348
0.0034359 115.2077614 128.5746194 188.6975863 253.8313750
302.9679649 346.3158931 376.0755719 388.8334942 403.0654549
420.6148843 431.5758948 460.3728879 478.9130870 493.4148589
510.4435275 527.0433696 535.5983095 544.1704745 558.5711202
559.1383398 577.5996065 581.5386344 601.0827294 611.5409804
622.6860964 631.3670339 638.5582146 653.3594694 656.0612080
666.1539501 668.0056433 676.3493418 686.5097373 696.4039325
702.1703922 717.3634728 719.2495392 726.0923141 738.7857226
740.8067611 756.3997960 763.9613755 765.5709855 773.5007040
776.0184936 783.0590602 784.8156535 796.1608266 798.9366707
801.8841768 815.9785171 822.4798692 823.3532400 826.1768696
827.9386379 830.5349853 847.0765340 853.4011983 855.4968311
857.0880942 867.6964454 872.5911684 875.8376788 888.1729588
891.5987438 898.4201938 900.3948166 912.1379165 914.8231076
919.2475840 925.1194605 932.6731468 940.6484463 942.1595905
950.5036384 953.8931010 958.1548077 962.9264281 969.3147696
973.0597796 976.1704707 980.6350100 984.4656130 988.9387449
992.4854108 996.0081297 1000.6911409 1004.7179458 1008.9246722
1010.1306358 1014.7191905 1019.1852173 1021.2132573 1027.0719838
1028.7572750 1034.1227550 1036.6347160 1042.4724404 1044.8602692
1052.5573626
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1920
Rtb_to_modes> Number of blocs = 122
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: 1.0001E-09
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.126
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.402
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.020
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.464
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.784
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.17
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 15.00
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 15.80
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.97
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.45
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.33
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 25.11
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 26.46
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 26.51
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 28.29
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 28.68
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.64
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 31.71
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 32.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 33.80
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 36.20
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 36.50
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 37.63
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 38.79
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 41.13
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 43.64
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 43.87
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 44.71
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 46.29
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 46.54
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 48.52
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 49.49
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 49.70
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 50.74
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 51.07
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 52.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 52.23
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 53.75
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 54.13
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 54.53
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 56.46
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 57.37
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 57.49
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.88
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 58.13
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 58.50
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 60.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 61.76
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 62.06
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 62.30
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 63.85
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 64.57
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 65.05
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.90
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 67.41
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 68.45
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 68.75
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 70.56
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 70.97
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 71.66
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 72.58
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 73.77
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 75.04
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 75.28
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 76.62
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 77.16
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 77.85
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 78.63
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 79.68
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 80.29
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 80.81
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 81.55
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 82.19
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 82.94
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 83.53
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 84.13
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 84.92
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 85.60
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 86.32
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 86.53
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 87.32
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 88.09
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 88.44
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 89.46
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 89.75
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 90.69
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 91.13
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 92.16
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 92.58
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 93.95
Rtb_to_modes> 106 vectors, with 732 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 1.00003 1.00000 1.00000
1.00001 0.99998 0.99997 0.99998 1.00000
1.00002 0.99997 1.00002 1.00000 1.00002
0.99999 1.00002 1.00002 0.99997 0.99995
0.99999 0.99997 0.99998 0.99997 0.99996
0.99998 1.00000 0.99999 1.00001 1.00001
1.00003 1.00001 1.00000 0.99998 1.00000
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 0.99999 0.99998 1.00000 0.99998
1.00000 1.00000 0.99997 1.00000 1.00002
0.99999 0.99999 0.99999 0.99999 1.00002
0.99999 1.00002 1.00002 1.00005 1.00001
1.00000 1.00001 1.00000 0.99999 0.99997
0.99997 0.99996 1.00001 1.00001 1.00001
1.00002 1.00001 0.99998 0.99999 1.00000
1.00003 1.00001 0.99998 1.00000 1.00000
1.00002 0.99998 1.00000 0.99998 1.00000
1.00001 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
0.99999 1.00003 1.00001 0.99998 1.00000
0.99999 1.00000 1.00000 0.99997 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34560 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 1.00003 1.00000 1.00000
1.00001 0.99998 0.99997 0.99998 1.00000
1.00002 0.99997 1.00002 1.00000 1.00002
0.99999 1.00002 1.00002 0.99997 0.99995
0.99999 0.99997 0.99998 0.99997 0.99996
0.99998 1.00000 0.99999 1.00001 1.00001
1.00003 1.00001 1.00000 0.99998 1.00000
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 0.99999 0.99998 1.00000 0.99998
1.00000 1.00000 0.99997 1.00000 1.00002
0.99999 0.99999 0.99999 0.99999 1.00002
0.99999 1.00002 1.00002 1.00005 1.00001
1.00000 1.00001 1.00000 0.99999 0.99997
0.99997 0.99996 1.00001 1.00001 1.00001
1.00002 1.00001 0.99998 0.99999 1.00000
1.00003 1.00001 0.99998 1.00000 1.00000
1.00002 0.99998 1.00000 0.99998 1.00000
1.00001 1.00001 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
0.99999 1.00003 1.00001 0.99998 1.00000
0.99999 1.00000 1.00000 0.99997 1.00000
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000-0.000-0.000
Vector 8:-0.000 0.000 0.000 0.000-0.000-0.000-0.000
Vector 9: 0.000-0.000 0.000-0.000 0.000 0.000 0.000 0.000
Vector 10: 0.000 0.000-0.000-0.000 0.000-0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240416162948706600.eigenfacs
Openam> file on opening on unit 10:
240416162948706600.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240416162948706600.atom
Openam> file on opening on unit 11:
240416162948706600.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 = 244
First residue number = 1
Last residue number = 244
Number of atoms found = 1920
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 15.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 15.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 25.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 26.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 26.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 28.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 28.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 31.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 32.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 33.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 36.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 36.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 37.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 38.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 41.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 43.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 43.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 44.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 46.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 46.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 48.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 49.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 49.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 50.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 51.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 52.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 52.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 53.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 54.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 54.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 56.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 57.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 57.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 58.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 58.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 60.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 61.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 62.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 62.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 63.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 64.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 65.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 67.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 68.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 68.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 70.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 70.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 71.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 72.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 73.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 75.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 75.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 76.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 77.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 77.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 78.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 79.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 80.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 80.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 81.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 82.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 82.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 83.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 84.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 84.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 85.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 86.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 86.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 87.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 88.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 88.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 89.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 89.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 90.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 91.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 92.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 92.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 93.95
Bfactors> 106 vectors, 5760 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 : 1.126000
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= 0.707 for 244 C-alpha atoms.
Bfactors> = 0.034 +/- 0.03
Bfactors> = 12.673 +/- 3.64
Bfactors> Shiftng-fct= 12.639
Bfactors> Scaling-fct= 106.869
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240416162948706600 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=0
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=100
240416162948706600.eigenfacs
240416162948706600.atom
making animated gifs
11 models are in 240416162948706600.7.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 240416162948706600.7.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 240416162948706600.7.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 240416162948706600 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=0
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=100
240416162948706600.eigenfacs
240416162948706600.atom
making animated gifs
11 models are in 240416162948706600.8.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 240416162948706600.8.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 240416162948706600.8.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 240416162948706600 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=0
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=100
240416162948706600.eigenfacs
240416162948706600.atom
making animated gifs
11 models are in 240416162948706600.9.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 240416162948706600.9.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 240416162948706600.9.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 240416162948706600 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=0
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=100
240416162948706600.eigenfacs
240416162948706600.atom
making animated gifs
11 models are in 240416162948706600.10.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 240416162948706600.10.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 240416162948706600.10.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 240416162948706600 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=-20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=0
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=20
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=40
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=60
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=80
240416162948706600.eigenfacs
240416162948706600.atom
calculating perturbed structure for DQ=100
240416162948706600.eigenfacs
240416162948706600.atom
making animated gifs
11 models are in 240416162948706600.11.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 240416162948706600.11.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 240416162948706600.11.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
240416162948706600.10.pdb
240416162948706600.11.pdb
240416162948706600.7.pdb
240416162948706600.8.pdb
240416162948706600.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.961s
user 0m6.921s
sys 0m0.040s
../../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: 240416162948706600.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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