*** 444 ***
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 = 240323171349264498.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 240323171349264498.atom to be opened.
Openam> File opened: 240323171349264498.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 = 265
First residue number = 5
Last residue number = 269
Number of atoms found = 2078
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -19.018626 +/- 9.829062 From: -43.879000 To: 3.167000
= 17.980325 +/- 9.819752 From: -6.302000 To: 40.121000
= 75.184493 +/- 9.811129 From: 50.564000 To: 99.335000
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 4.2578 % Filled.
Pdbmat> 827482 non-zero elements.
Pdbmat> 90571 atom-atom interactions.
Pdbmat> Number per atom= 87.17 +/- 23.09
Maximum number = 137
Minimum number = 24
Pdbmat> Matrix trace = 1.811420E+06
Pdbmat> Larger element = 502.509
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
265 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 = 240323171349264498.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 240323171349264498.atom to be opened.
Openam> file on opening on unit 11:
240323171349264498.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2078 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> 265 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 13
Blocpdb> 12 atoms in block 3
Block first atom: 29
Blocpdb> 15 atoms in block 4
Block first atom: 41
Blocpdb> 17 atoms in block 5
Block first atom: 56
Blocpdb> 17 atoms in block 6
Block first atom: 73
Blocpdb> 15 atoms in block 7
Block first atom: 90
Blocpdb> 24 atoms in block 8
Block first atom: 105
Blocpdb> 14 atoms in block 9
Block first atom: 129
Blocpdb> 14 atoms in block 10
Block first atom: 143
Blocpdb> 13 atoms in block 11
Block first atom: 157
Blocpdb> 18 atoms in block 12
Block first atom: 170
Blocpdb> 29 atoms in block 13
Block first atom: 188
Blocpdb> 14 atoms in block 14
Block first atom: 217
Blocpdb> 15 atoms in block 15
Block first atom: 231
Blocpdb> 9 atoms in block 16
Block first atom: 246
Blocpdb> 21 atoms in block 17
Block first atom: 255
Blocpdb> 14 atoms in block 18
Block first atom: 276
Blocpdb> 18 atoms in block 19
Block first atom: 290
Blocpdb> 14 atoms in block 20
Block first atom: 308
Blocpdb> 12 atoms in block 21
Block first atom: 322
Blocpdb> 17 atoms in block 22
Block first atom: 334
Blocpdb> 17 atoms in block 23
Block first atom: 351
Blocpdb> 16 atoms in block 24
Block first atom: 368
Blocpdb> 16 atoms in block 25
Block first atom: 384
Blocpdb> 20 atoms in block 26
Block first atom: 400
Blocpdb> 15 atoms in block 27
Block first atom: 420
Blocpdb> 20 atoms in block 28
Block first atom: 435
Blocpdb> 15 atoms in block 29
Block first atom: 455
Blocpdb> 13 atoms in block 30
Block first atom: 470
Blocpdb> 15 atoms in block 31
Block first atom: 483
Blocpdb> 16 atoms in block 32
Block first atom: 498
Blocpdb> 12 atoms in block 33
Block first atom: 514
Blocpdb> 15 atoms in block 34
Block first atom: 526
Blocpdb> 16 atoms in block 35
Block first atom: 541
Blocpdb> 20 atoms in block 36
Block first atom: 557
Blocpdb> 15 atoms in block 37
Block first atom: 577
Blocpdb> 28 atoms in block 38
Block first atom: 592
Blocpdb> 10 atoms in block 39
Block first atom: 620
Blocpdb> 12 atoms in block 40
Block first atom: 630
Blocpdb> 25 atoms in block 41
Block first atom: 642
Blocpdb> 22 atoms in block 42
Block first atom: 667
Blocpdb> 13 atoms in block 43
Block first atom: 689
Blocpdb> 16 atoms in block 44
Block first atom: 702
Blocpdb> 18 atoms in block 45
Block first atom: 718
Blocpdb> 14 atoms in block 46
Block first atom: 736
Blocpdb> 13 atoms in block 47
Block first atom: 750
Blocpdb> 19 atoms in block 48
Block first atom: 763
Blocpdb> 14 atoms in block 49
Block first atom: 782
Blocpdb> 10 atoms in block 50
Block first atom: 796
Blocpdb> 16 atoms in block 51
Block first atom: 806
Blocpdb> 17 atoms in block 52
Block first atom: 822
Blocpdb> 13 atoms in block 53
Block first atom: 839
Blocpdb> 19 atoms in block 54
Block first atom: 852
Blocpdb> 14 atoms in block 55
Block first atom: 871
Blocpdb> 16 atoms in block 56
Block first atom: 885
Blocpdb> 16 atoms in block 57
Block first atom: 901
Blocpdb> 17 atoms in block 58
Block first atom: 917
Blocpdb> 17 atoms in block 59
Block first atom: 934
Blocpdb> 12 atoms in block 60
Block first atom: 951
Blocpdb> 14 atoms in block 61
Block first atom: 963
Blocpdb> 16 atoms in block 62
Block first atom: 977
Blocpdb> 20 atoms in block 63
Block first atom: 993
Blocpdb> 18 atoms in block 64
Block first atom: 1013
Blocpdb> 19 atoms in block 65
Block first atom: 1031
Blocpdb> 18 atoms in block 66
Block first atom: 1050
Blocpdb> 16 atoms in block 67
Block first atom: 1068
Blocpdb> 12 atoms in block 68
Block first atom: 1084
Blocpdb> 11 atoms in block 69
Block first atom: 1096
Blocpdb> 16 atoms in block 70
Block first atom: 1107
Blocpdb> 12 atoms in block 71
Block first atom: 1123
Blocpdb> 9 atoms in block 72
Block first atom: 1135
Blocpdb> 12 atoms in block 73
Block first atom: 1144
Blocpdb> 16 atoms in block 74
Block first atom: 1156
Blocpdb> 11 atoms in block 75
Block first atom: 1172
Blocpdb> 16 atoms in block 76
Block first atom: 1183
Blocpdb> 20 atoms in block 77
Block first atom: 1199
Blocpdb> 20 atoms in block 78
Block first atom: 1219
Blocpdb> 18 atoms in block 79
Block first atom: 1239
Blocpdb> 12 atoms in block 80
Block first atom: 1257
Blocpdb> 12 atoms in block 81
Block first atom: 1269
Blocpdb> 14 atoms in block 82
Block first atom: 1281
Blocpdb> 19 atoms in block 83
Block first atom: 1295
Blocpdb> 20 atoms in block 84
Block first atom: 1314
Blocpdb> 16 atoms in block 85
Block first atom: 1334
Blocpdb> 13 atoms in block 86
Block first atom: 1350
Blocpdb> 18 atoms in block 87
Block first atom: 1363
Blocpdb> 11 atoms in block 88
Block first atom: 1381
Blocpdb> 15 atoms in block 89
Block first atom: 1392
Blocpdb> 16 atoms in block 90
Block first atom: 1407
Blocpdb> 13 atoms in block 91
Block first atom: 1423
Blocpdb> 19 atoms in block 92
Block first atom: 1436
Blocpdb> 13 atoms in block 93
Block first atom: 1455
Blocpdb> 11 atoms in block 94
Block first atom: 1468
Blocpdb> 15 atoms in block 95
Block first atom: 1479
Blocpdb> 23 atoms in block 96
Block first atom: 1494
Blocpdb> 18 atoms in block 97
Block first atom: 1517
Blocpdb> 15 atoms in block 98
Block first atom: 1535
Blocpdb> 20 atoms in block 99
Block first atom: 1550
Blocpdb> 16 atoms in block 100
Block first atom: 1570
Blocpdb> 14 atoms in block 101
Block first atom: 1586
Blocpdb> 18 atoms in block 102
Block first atom: 1600
Blocpdb> 14 atoms in block 103
Block first atom: 1618
Blocpdb> 10 atoms in block 104
Block first atom: 1632
Blocpdb> 15 atoms in block 105
Block first atom: 1642
Blocpdb> 19 atoms in block 106
Block first atom: 1657
Blocpdb> 15 atoms in block 107
Block first atom: 1676
Blocpdb> 10 atoms in block 108
Block first atom: 1691
Blocpdb> 21 atoms in block 109
Block first atom: 1701
Blocpdb> 22 atoms in block 110
Block first atom: 1722
Blocpdb> 15 atoms in block 111
Block first atom: 1744
Blocpdb> 14 atoms in block 112
Block first atom: 1759
Blocpdb> 16 atoms in block 113
Block first atom: 1773
Blocpdb> 14 atoms in block 114
Block first atom: 1789
Blocpdb> 16 atoms in block 115
Block first atom: 1803
Blocpdb> 13 atoms in block 116
Block first atom: 1819
Blocpdb> 14 atoms in block 117
Block first atom: 1832
Blocpdb> 17 atoms in block 118
Block first atom: 1846
Blocpdb> 13 atoms in block 119
Block first atom: 1863
Blocpdb> 14 atoms in block 120
Block first atom: 1876
Blocpdb> 14 atoms in block 121
Block first atom: 1890
Blocpdb> 14 atoms in block 122
Block first atom: 1904
Blocpdb> 14 atoms in block 123
Block first atom: 1918
Blocpdb> 18 atoms in block 124
Block first atom: 1932
Blocpdb> 13 atoms in block 125
Block first atom: 1950
Blocpdb> 16 atoms in block 126
Block first atom: 1963
Blocpdb> 18 atoms in block 127
Block first atom: 1979
Blocpdb> 18 atoms in block 128
Block first atom: 1997
Blocpdb> 15 atoms in block 129
Block first atom: 2015
Blocpdb> 16 atoms in block 130
Block first atom: 2030
Blocpdb> 11 atoms in block 131
Block first atom: 2046
Blocpdb> 14 atoms in block 132
Block first atom: 2057
Blocpdb> 8 atoms in block 133
Block first atom: 2070
Blocpdb> 133 blocks.
Blocpdb> At most, 29 atoms in each of them.
Blocpdb> At least, 8 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> 827615 matrix lines read.
Prepmat> Matrix order = 6234
Prepmat> Matrix trace = 1811420.0000
Prepmat> Last element read: 6234 6234 223.2166
Prepmat> 8912 lines saved.
Prepmat> 7371 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: 2078
RTB> Total mass = 2078.0000
RTB> Number of atoms found in matrix: 2078
RTB> Number of blocks = 133
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 198672.6955
RTB> 53445 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 = 798
Diagstd> Nb of non-zero elements: 53445
Diagstd> Projected matrix trace = 198672.6955
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 798 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 198672.6955
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 5.8426621 7.6435634 10.3048153 11.9760059
13.0696203 14.8146668 16.4245593 17.2813233 18.7769969
20.1305532 20.9245065 22.2909231 23.2198378 23.9309473
24.4256213 25.3230974 26.3003212 27.2821611 27.9926913
30.6071689 31.7393029 33.0099324 34.5226346 35.8870915
37.0204323 38.7125981 39.4662086 39.7835431 41.1454362
41.6178038 42.8223503 44.0666435 44.3585530 45.9591297
46.9812543 48.5334065 48.9363651 49.0007392 50.4264889
52.0036937 52.4363484 53.2580607 54.0370080 54.8349696
55.3395971 56.3421850 56.5347693 58.2150089 59.6528943
60.6815478 60.9854923 62.6507603 63.7411791 64.0887569
65.6203766 66.5491323 66.8831334 67.2783364 69.3318875
69.5416610 70.6298322 71.0907185 72.2159515 72.7900643
73.2064286 74.8605400 76.3191919 77.0399353 77.7306324
77.7898762 78.8658998 79.1515050 80.9222047 81.0662401
82.0475309 82.7766624 82.8672746 84.4057144 85.5675421
87.2179603 87.6516897 87.7805937 89.1255979 89.6654177
90.6215855 91.7617175 91.9916273 93.3549913 94.2475750
94.9852273 95.9106701 97.1119122 97.7832044 98.4872394
99.5992519 100.7885816 100.8639563 101.3905247 101.9380306
103.7814539
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034327 0.0034337 0.0034344 0.0034346
0.0034351 262.4826883 300.2224847 348.5903713 375.7952446
392.5787306 417.9662598 440.0906515 451.4230988 470.5527847
487.2177869 496.7328626 512.6952657 523.2688372 531.2209878
536.6833100 546.4541053 556.8981899 567.1979664 574.5364775
600.7680946 611.7781645 623.9037525 638.0390298 650.5256292
660.7178244 675.6494691 682.1941391 684.9312944 696.5561252
700.5430998 710.6087166 720.8589028 723.2425451 736.1751918
744.3163924 756.5117328 759.6457879 760.1452674 771.1247550
783.0912583 786.3420499 792.4793497 798.2536763 804.1259614
807.8175364 815.1023084 816.4941780 828.5386344 838.7084920
845.9089210 848.0247889 859.5248818 866.9725093 869.3330765
879.6595853 885.8628288 888.0830596 890.7029736 904.1943565
905.5612078 912.6187084 915.5914573 922.8090591 926.4699379
929.1158961 939.5540262 948.6634359 953.1324045 957.3954978
957.7602761 964.3616061 966.1061988 976.8528174 977.7217932
983.6215577 987.9824635 988.5230671 997.6568876 1004.4996939
1014.1407720 1016.6592739 1017.4065687 1025.1714630 1028.2714272
1033.7394928 1040.2220301 1041.5243577 1049.2139393 1054.2178674
1058.3353765 1063.4785698 1070.1176649 1073.8099230 1077.6686832
1083.7355466 1090.1868694 1090.5944411 1093.4375032 1096.3857941
1106.2547680
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2078
Rtb_to_modes> Number of blocs = 133
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: 9.9895E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.843
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.644
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 10.30
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 17.28
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 18.78
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.13
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 20.92
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.29
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 23.93
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.43
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 25.32
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 26.30
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 27.28
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 27.99
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 30.61
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 31.74
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 33.01
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 34.52
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 35.89
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 37.02
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 38.71
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 39.47
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 39.78
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 41.62
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 42.82
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 44.07
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 44.36
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 45.96
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 46.98
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 48.53
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 48.94
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 49.00
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 50.43
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 52.00
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 52.44
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 53.26
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 54.04
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 54.83
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 55.34
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 56.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 56.53
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 58.22
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 59.65
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 60.68
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 60.99
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 62.65
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 63.74
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 64.09
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 65.62
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 66.55
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 66.88
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 67.28
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 69.33
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 69.54
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 70.63
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 71.09
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 72.22
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 72.79
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 73.21
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 74.86
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 76.32
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 77.04
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 77.73
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 77.79
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 78.87
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 79.15
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 80.92
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 81.07
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 82.05
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 82.78
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 82.87
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 84.41
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 85.57
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 87.22
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 87.65
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 87.78
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 89.13
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 89.67
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 90.62
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 91.76
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 91.99
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 93.35
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 94.25
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 94.99
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 95.91
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 97.11
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 97.78
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 98.49
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 99.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 100.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 100.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 101.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 103.8
Rtb_to_modes> 106 vectors, with 798 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00001 0.99999 1.00002
1.00001 1.00000 1.00002 0.99999 1.00001
1.00000 0.99999 1.00001 0.99997 0.99998
1.00000 0.99999 1.00002 1.00001 0.99999
0.99999 1.00003 0.99999 0.99998 1.00000
0.99998 1.00000 1.00000 0.99998 1.00003
1.00001 1.00003 0.99996 1.00001 0.99998
1.00000 1.00001 0.99999 1.00000 1.00000
0.99997 0.99999 1.00002 1.00001 1.00002
0.99998 1.00001 0.99999 0.99998 1.00003
1.00000 1.00003 1.00000 0.99997 1.00001
1.00001 0.99997 0.99999 1.00000 1.00001
1.00000 1.00004 0.99999 1.00001 1.00000
1.00004 0.99999 0.99999 0.99997 0.99999
1.00001 0.99999 1.00000 0.99999 0.99998
0.99998 1.00001 0.99997 0.99999 1.00000
1.00001 0.99999 1.00000 1.00001 1.00001
0.99998 1.00002 1.00000 1.00003 1.00001
0.99999 1.00000 1.00001 0.99998 1.00000
1.00001 0.99999 0.99998 1.00001 1.00001
1.00000 1.00001 0.99999 1.00001 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 37404 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00001 0.99999 1.00002
1.00001 1.00000 1.00002 0.99999 1.00001
1.00000 0.99999 1.00001 0.99997 0.99998
1.00000 0.99999 1.00002 1.00001 0.99999
0.99999 1.00003 0.99999 0.99998 1.00000
0.99998 1.00000 1.00000 0.99998 1.00003
1.00001 1.00003 0.99996 1.00001 0.99998
1.00000 1.00001 0.99999 1.00000 1.00000
0.99997 0.99999 1.00002 1.00001 1.00002
0.99998 1.00001 0.99999 0.99998 1.00003
1.00000 1.00003 1.00000 0.99997 1.00001
1.00001 0.99997 0.99999 1.00000 1.00001
1.00000 1.00004 0.99999 1.00001 1.00000
1.00004 0.99999 0.99999 0.99997 0.99999
1.00001 0.99999 1.00000 0.99999 0.99998
0.99998 1.00001 0.99997 0.99999 1.00000
1.00001 0.99999 1.00000 1.00001 1.00001
0.99998 1.00002 1.00000 1.00003 1.00001
0.99999 1.00000 1.00001 0.99998 1.00000
1.00001 0.99999 0.99998 1.00001 1.00001
1.00000 1.00001 0.99999 1.00001 1.00001
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> 240323171349264498.eigenfacs
Openam> file on opening on unit 10:
240323171349264498.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240323171349264498.atom
Openam> file on opening on unit 11:
240323171349264498.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 = 265
First residue number = 5
Last residue number = 269
Number of atoms found = 2078
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9895E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 17.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 23.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 25.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 26.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 27.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 27.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 30.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 31.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 33.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 34.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 35.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 37.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 38.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 39.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 39.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 41.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 42.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 44.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 44.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 45.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 46.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 48.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 48.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 49.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 50.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 52.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 52.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 53.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 54.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 54.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 55.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 56.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 56.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 58.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 59.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 60.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 60.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 62.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 63.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 64.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 65.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 66.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 66.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 67.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 69.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 69.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 70.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 71.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 72.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 72.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 73.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 74.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 76.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 77.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 77.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 77.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 78.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 79.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 80.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 81.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 82.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 82.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 82.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 84.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 85.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 87.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 87.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 87.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 89.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 89.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 90.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 91.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 91.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 93.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 94.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 94.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 95.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 97.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 97.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 98.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 99.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 100.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 101.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 103.8
Bfactors> 106 vectors, 6234 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 5.843000
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= 0.659 for 265 C-alpha atoms.
Bfactors> = 0.017 +/- 0.01
Bfactors> = 22.186 +/- 4.32
Bfactors> Shiftng-fct= 22.169
Bfactors> Scaling-fct= 314.445
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240323171349264498 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=0
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=100
240323171349264498.eigenfacs
240323171349264498.atom
making animated gifs
11 models are in 240323171349264498.7.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 240323171349264498.7.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 240323171349264498.7.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 240323171349264498 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=0
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=100
240323171349264498.eigenfacs
240323171349264498.atom
making animated gifs
11 models are in 240323171349264498.8.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 240323171349264498.8.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 240323171349264498.8.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 240323171349264498 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=0
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=100
240323171349264498.eigenfacs
240323171349264498.atom
making animated gifs
11 models are in 240323171349264498.9.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 240323171349264498.9.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 240323171349264498.9.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 240323171349264498 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=0
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=100
240323171349264498.eigenfacs
240323171349264498.atom
making animated gifs
11 models are in 240323171349264498.10.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 240323171349264498.10.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 240323171349264498.10.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 240323171349264498 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=-20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=0
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=20
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=40
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=60
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=80
240323171349264498.eigenfacs
240323171349264498.atom
calculating perturbed structure for DQ=100
240323171349264498.eigenfacs
240323171349264498.atom
making animated gifs
11 models are in 240323171349264498.11.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 240323171349264498.11.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 240323171349264498.11.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
240323171349264498.10.pdb
240323171349264498.11.pdb
240323171349264498.7.pdb
240323171349264498.8.pdb
240323171349264498.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.781s
user 0m8.741s
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: 240323171349264498.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.
|
