*** 1bkz_monomerB_OPT ***
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 = 240416193437756903.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 240416193437756903.atom to be opened.
Openam> File opened: 240416193437756903.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 = 135
First residue number = 1
Last residue number = 135
Number of atoms found = 2099
Mean number per residue = 15.5
Pdbmat> Coordinate statistics:
= 14.353184 +/- 8.815541 From: -5.741000 To: 36.220000
= 45.509995 +/- 7.266991 From: 28.374000 To: 62.690000
= 44.782831 +/- 7.888962 From: 22.568000 To: 63.506000
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 7.4228 % Filled.
Pdbmat> 1471885 non-zero elements.
Pdbmat> 162169 atom-atom interactions.
Pdbmat> Number per atom= 154.52 +/- 48.94
Maximum number = 244
Minimum number = 21
Pdbmat> Matrix trace = 3.243380E+06
Pdbmat> Larger element = 870.813
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
135 non-zero elements, NRBL set to 1
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 = 240416193437756903.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 240416193437756903.atom to be opened.
Openam> file on opening on unit 11:
240416193437756903.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2099 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 135 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 14
Blocpdb> 16 atoms in block 3
Block first atom: 28
Blocpdb> 14 atoms in block 4
Block first atom: 44
Blocpdb> 17 atoms in block 5
Block first atom: 58
Blocpdb> 22 atoms in block 6
Block first atom: 75
Blocpdb> 11 atoms in block 7
Block first atom: 97
Blocpdb> 11 atoms in block 8
Block first atom: 108
Blocpdb> 19 atoms in block 9
Block first atom: 119
Blocpdb> 14 atoms in block 10
Block first atom: 138
Blocpdb> 15 atoms in block 11
Block first atom: 152
Blocpdb> 7 atoms in block 12
Block first atom: 167
Blocpdb> 19 atoms in block 13
Block first atom: 174
Blocpdb> 24 atoms in block 14
Block first atom: 193
Blocpdb> 14 atoms in block 15
Block first atom: 217
Blocpdb> 7 atoms in block 16
Block first atom: 231
Blocpdb> 14 atoms in block 17
Block first atom: 238
Blocpdb> 16 atoms in block 18
Block first atom: 252
Blocpdb> 19 atoms in block 19
Block first atom: 268
Blocpdb> 24 atoms in block 20
Block first atom: 287
Blocpdb> 19 atoms in block 21
Block first atom: 311
Blocpdb> 24 atoms in block 22
Block first atom: 330
Blocpdb> 7 atoms in block 23
Block first atom: 354
Blocpdb> 19 atoms in block 24
Block first atom: 361
Blocpdb> 16 atoms in block 25
Block first atom: 380
Blocpdb> 14 atoms in block 26
Block first atom: 396
Blocpdb> 14 atoms in block 27
Block first atom: 410
Blocpdb> 14 atoms in block 28
Block first atom: 424
Blocpdb> 10 atoms in block 29
Block first atom: 438
Blocpdb> 11 atoms in block 30
Block first atom: 448
Blocpdb> 24 atoms in block 31
Block first atom: 459
Blocpdb> 20 atoms in block 32
Block first atom: 483
Blocpdb> 17 atoms in block 33
Block first atom: 503
Blocpdb> 16 atoms in block 34
Block first atom: 520
Blocpdb> 14 atoms in block 35
Block first atom: 536
Blocpdb> 19 atoms in block 36
Block first atom: 550
Blocpdb> 19 atoms in block 37
Block first atom: 569
Blocpdb> 11 atoms in block 38
Block first atom: 588
Blocpdb> 7 atoms in block 39
Block first atom: 599
Blocpdb> 15 atoms in block 40
Block first atom: 606
Blocpdb> 15 atoms in block 41
Block first atom: 621
Blocpdb> 17 atoms in block 42
Block first atom: 636
Blocpdb> 7 atoms in block 43
Block first atom: 653
Blocpdb> 11 atoms in block 44
Block first atom: 660
Blocpdb> 12 atoms in block 45
Block first atom: 671
Blocpdb> 10 atoms in block 46
Block first atom: 683
Blocpdb> 10 atoms in block 47
Block first atom: 693
Blocpdb> 19 atoms in block 48
Block first atom: 703
Blocpdb> 17 atoms in block 49
Block first atom: 722
Blocpdb> 20 atoms in block 50
Block first atom: 739
Blocpdb> 14 atoms in block 51
Block first atom: 759
Blocpdb> 14 atoms in block 52
Block first atom: 773
Blocpdb> 24 atoms in block 53
Block first atom: 787
Blocpdb> 19 atoms in block 54
Block first atom: 811
Blocpdb> 12 atoms in block 55
Block first atom: 830
Blocpdb> 14 atoms in block 56
Block first atom: 842
Blocpdb> 11 atoms in block 57
Block first atom: 856
Blocpdb> 15 atoms in block 58
Block first atom: 867
Blocpdb> 16 atoms in block 59
Block first atom: 882
Blocpdb> 16 atoms in block 60
Block first atom: 898
Blocpdb> 20 atoms in block 61
Block first atom: 914
Blocpdb> 14 atoms in block 62
Block first atom: 934
Blocpdb> 11 atoms in block 63
Block first atom: 948
Blocpdb> 22 atoms in block 64
Block first atom: 959
Blocpdb> 15 atoms in block 65
Block first atom: 981
Blocpdb> 17 atoms in block 66
Block first atom: 996
Blocpdb> 7 atoms in block 67
Block first atom: 1013
Blocpdb> 11 atoms in block 68
Block first atom: 1020
Blocpdb> 24 atoms in block 69
Block first atom: 1031
Blocpdb> 7 atoms in block 70
Block first atom: 1055
Blocpdb> 24 atoms in block 71
Block first atom: 1062
Blocpdb> 15 atoms in block 72
Block first atom: 1086
Blocpdb> 15 atoms in block 73
Block first atom: 1101
Blocpdb> 24 atoms in block 74
Block first atom: 1116
Blocpdb> 7 atoms in block 75
Block first atom: 1140
Blocpdb> 14 atoms in block 76
Block first atom: 1147
Blocpdb> 7 atoms in block 77
Block first atom: 1161
Blocpdb> 16 atoms in block 78
Block first atom: 1168
Blocpdb> 14 atoms in block 79
Block first atom: 1184
Blocpdb> 20 atoms in block 80
Block first atom: 1198
Blocpdb> 17 atoms in block 81
Block first atom: 1218
Blocpdb> 24 atoms in block 82
Block first atom: 1235
Blocpdb> 7 atoms in block 83
Block first atom: 1259
Blocpdb> 17 atoms in block 84
Block first atom: 1266
Blocpdb> 14 atoms in block 85
Block first atom: 1283
Blocpdb> 20 atoms in block 86
Block first atom: 1297
Blocpdb> 15 atoms in block 87
Block first atom: 1317
Blocpdb> 16 atoms in block 88
Block first atom: 1332
Blocpdb> 19 atoms in block 89
Block first atom: 1348
Blocpdb> 19 atoms in block 90
Block first atom: 1367
Blocpdb> 19 atoms in block 91
Block first atom: 1386
Blocpdb> 10 atoms in block 92
Block first atom: 1405
Blocpdb> 11 atoms in block 93
Block first atom: 1415
Blocpdb> 12 atoms in block 94
Block first atom: 1426
Blocpdb> 12 atoms in block 95
Block first atom: 1438
Blocpdb> 7 atoms in block 96
Block first atom: 1450
Blocpdb> 20 atoms in block 97
Block first atom: 1457
Blocpdb> 22 atoms in block 98
Block first atom: 1477
Blocpdb> 10 atoms in block 99
Block first atom: 1499
Blocpdb> 16 atoms in block 100
Block first atom: 1509
Blocpdb> 16 atoms in block 101
Block first atom: 1525
Blocpdb> 7 atoms in block 102
Block first atom: 1541
Blocpdb> 12 atoms in block 103
Block first atom: 1548
Blocpdb> 10 atoms in block 104
Block first atom: 1560
Blocpdb> 17 atoms in block 105
Block first atom: 1570
Blocpdb> 21 atoms in block 106
Block first atom: 1587
Blocpdb> 17 atoms in block 107
Block first atom: 1608
Blocpdb> 17 atoms in block 108
Block first atom: 1625
Blocpdb> 20 atoms in block 109
Block first atom: 1642
Blocpdb> 24 atoms in block 110
Block first atom: 1662
Blocpdb> 17 atoms in block 111
Block first atom: 1686
Blocpdb> 24 atoms in block 112
Block first atom: 1703
Blocpdb> 19 atoms in block 113
Block first atom: 1727
Blocpdb> 14 atoms in block 114
Block first atom: 1746
Blocpdb> 19 atoms in block 115
Block first atom: 1760
Blocpdb> 10 atoms in block 116
Block first atom: 1779
Blocpdb> 24 atoms in block 117
Block first atom: 1789
Blocpdb> 16 atoms in block 118
Block first atom: 1813
Blocpdb> 24 atoms in block 119
Block first atom: 1829
Blocpdb> 19 atoms in block 120
Block first atom: 1853
Blocpdb> 16 atoms in block 121
Block first atom: 1872
Blocpdb> 15 atoms in block 122
Block first atom: 1888
Blocpdb> 16 atoms in block 123
Block first atom: 1903
Blocpdb> 7 atoms in block 124
Block first atom: 1919
Blocpdb> 7 atoms in block 125
Block first atom: 1926
Blocpdb> 12 atoms in block 126
Block first atom: 1933
Blocpdb> 16 atoms in block 127
Block first atom: 1945
Blocpdb> 17 atoms in block 128
Block first atom: 1961
Blocpdb> 19 atoms in block 129
Block first atom: 1978
Blocpdb> 12 atoms in block 130
Block first atom: 1997
Blocpdb> 11 atoms in block 131
Block first atom: 2009
Blocpdb> 16 atoms in block 132
Block first atom: 2020
Blocpdb> 24 atoms in block 133
Block first atom: 2036
Blocpdb> 19 atoms in block 134
Block first atom: 2060
Blocpdb> 21 atoms in block 135
Block first atom: 2078
Blocpdb> 135 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 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> 1472020 matrix lines read.
Prepmat> Matrix order = 6297
Prepmat> Matrix trace = 3243380.0000
Prepmat> Last element read: 6297 6297 329.1101
Prepmat> 9181 lines saved.
Prepmat> 7215 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: 2099
RTB> Total mass = 2099.0000
RTB> Number of atoms found in matrix: 2099
RTB> Number of blocks = 135
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 378879.8358
RTB> 68715 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 = 810
Diagstd> Nb of non-zero elements: 68715
Diagstd> Projected matrix trace = 378879.8358
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 810 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 378879.8358
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 12.5752680 13.0596706 16.9661284 20.3341387
22.9488962 26.5942358 30.8187482 36.7575007 38.2837417
39.6257669 41.4855061 42.5407841 48.0427536 50.9033951
52.4818939 55.3816631 55.6219933 56.7790959 58.8481144
59.4287941 62.3399357 63.6074592 65.8006462 67.2872353
69.0554846 73.4138737 74.3584345 76.3925733 77.0475104
79.3361064 82.5937384 84.2892165 86.5801936 91.6042985
93.4212473 96.2152591 97.8206973 101.1806045 103.2042211
104.9087756 106.3081027 107.0988095 108.5181739 110.6324279
112.6093351 116.2520661 117.7043128 120.0087251 120.9715339
126.1257611 128.1938373 128.4738668 129.0338754 132.6614152
134.3255430 135.6065199 136.9835895 138.1758121 140.2556858
143.8117163 146.6531844 147.3582388 151.7047747 152.2169306
153.2550103 155.1768938 156.2125016 156.8114693 158.5797259
159.7409702 161.7325469 163.0977636 165.7149916 166.4710755
167.7081916 169.7674475 170.5878446 172.8428906 173.4992175
176.8448237 177.4433391 178.5085013 180.3550473 182.7162550
184.9410300 186.4161290 190.3537156 192.2243534 194.2671678
195.3344472 196.2537385 198.0176307 198.3863745 199.3575451
202.1559901 204.1834382 205.0360930 206.4832398 209.0531729
209.7077663
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034309 0.0034332 0.0034333 0.0034336 0.0034341
0.0034346 385.0826089 392.4292688 447.2873898 489.6752694
520.2069869 560.0013039 602.8409940 658.3673229 671.8966397
683.5717721 699.4287445 708.2686603 752.6780064 774.7626125
786.6834791 808.1245067 809.8760475 818.2565996 833.0317533
837.1316060 857.3900816 866.0626398 880.8670392 890.7618785
902.3901976 930.4313830 936.3978310 949.1193993 953.1792627
967.2321454 986.8902134 996.9681602 1010.4261017 1039.3293863
1049.5861976 1065.1659064 1074.0157679 1092.3049839 1103.1739818
1112.2468629 1119.6401505 1123.7963107 1131.2185515 1142.1851303
1152.3448822 1170.8347949 1178.1252616 1189.6020154 1194.3644659
1219.5431756 1229.5009088 1230.8430513 1233.5227134 1250.7415955
1258.5619069 1264.5487181 1270.9531777 1276.4720011 1286.0430843
1302.2441493 1315.0462556 1318.2035939 1337.5034324 1339.7592383
1344.3198799 1352.7227917 1357.2291351 1359.8286665 1367.4741069
1372.4718294 1381.0010004 1386.8174042 1397.9002411 1401.0856111
1406.2820009 1414.8893895 1418.3039785 1427.6476691 1430.3556652
1444.0806761 1446.5222924 1450.8574102 1458.3421579 1467.8574214
1476.7667867 1482.6444731 1498.2212739 1505.5649114 1513.5437694
1517.6956843 1521.2628143 1528.0839357 1529.5060552 1533.2452178
1543.9690401 1551.6920552 1554.9285552 1560.4062573 1570.0867985
1572.5430282
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2099
Rtb_to_modes> Number of blocs = 135
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: 9.9823E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9964E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 12.58
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 13.06
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 16.97
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 20.33
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 22.95
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 26.59
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 36.76
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 39.63
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 41.49
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 42.54
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 48.04
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 50.90
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 52.48
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 55.38
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 55.62
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 56.78
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 58.85
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 59.43
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 62.34
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 63.61
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 65.80
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 67.29
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 69.06
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 73.41
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 74.36
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 76.39
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 77.05
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 79.34
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 82.59
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 84.29
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 86.58
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 91.60
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 93.42
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 96.22
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 97.82
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 103.2
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 104.9
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 106.3
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 107.1
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 108.5
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 110.6
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 112.6
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 116.3
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 117.7
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 120.0
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 121.0
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 126.1
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 128.2
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 128.5
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 129.0
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 132.7
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 134.3
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 135.6
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 137.0
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 138.2
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 140.3
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 143.8
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 146.7
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 147.4
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 151.7
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 152.2
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 153.3
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 155.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 156.2
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 156.8
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 158.6
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 159.7
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 161.7
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 163.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 165.7
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 166.5
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 167.7
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 169.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 170.6
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 172.8
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 173.5
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 176.8
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 177.4
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 178.5
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 180.4
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 182.7
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 184.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 186.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 190.4
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 192.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 194.3
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 195.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 196.3
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 198.0
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 198.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 199.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 202.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 204.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 205.0
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 206.5
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 209.1
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 209.7
Rtb_to_modes> 106 vectors, with 810 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 0.99996 1.00000 0.99998
0.99998 0.99995 1.00001 1.00004 1.00001
1.00000 1.00003 1.00004 0.99998 0.99998
1.00003 1.00001 1.00002 1.00003 1.00002
1.00004 1.00001 1.00002 0.99999 1.00004
1.00002 1.00001 0.99996 0.99998 0.99999
1.00000 1.00002 1.00001 0.99999 0.99998
1.00000 1.00000 1.00000 0.99998 1.00000
1.00001 1.00002 0.99998 0.99999 1.00000
0.99999 1.00001 0.99996 0.99998 0.99999
1.00001 1.00001 0.99999 0.99996 1.00001
1.00001 1.00002 0.99996 1.00000 0.99997
1.00001 0.99997 0.99996 0.99998 0.99999
0.99997 1.00001 1.00000 1.00002 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 1.00002 0.99998 1.00000 1.00001
0.99997 1.00001 1.00002 0.99998 0.99998
0.99999 1.00001 0.99999 0.99998 1.00000
0.99998 0.99997 1.00001 0.99998 1.00001
1.00000 1.00001 1.00001 0.99999 1.00000
0.99999 1.00001 1.00001 1.00002 0.99999
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 37782 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 0.99996 1.00000 0.99998
0.99998 0.99995 1.00001 1.00004 1.00001
1.00000 1.00003 1.00004 0.99998 0.99998
1.00003 1.00001 1.00002 1.00003 1.00002
1.00004 1.00001 1.00002 0.99999 1.00004
1.00002 1.00001 0.99996 0.99998 0.99999
1.00000 1.00002 1.00001 0.99999 0.99998
1.00000 1.00000 1.00000 0.99998 1.00000
1.00001 1.00002 0.99998 0.99999 1.00000
0.99999 1.00001 0.99996 0.99998 0.99999
1.00001 1.00001 0.99999 0.99996 1.00001
1.00001 1.00002 0.99996 1.00000 0.99997
1.00001 0.99997 0.99996 0.99998 0.99999
0.99997 1.00001 1.00000 1.00002 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 1.00002 0.99998 1.00000 1.00001
0.99997 1.00001 1.00002 0.99998 0.99998
0.99999 1.00001 0.99999 0.99998 1.00000
0.99998 0.99997 1.00001 0.99998 1.00001
1.00000 1.00001 1.00001 0.99999 1.00000
0.99999 1.00001 1.00001 1.00002 0.99999
0.99997
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> 240416193437756903.eigenfacs
Openam> file on opening on unit 10:
240416193437756903.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240416193437756903.atom
Openam> file on opening on unit 11:
240416193437756903.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 = 135
First residue number = 1
Last residue number = 135
Number of atoms found = 2099
Mean number per residue = 15.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9823E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 13.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 22.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 26.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 36.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 39.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 41.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 42.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 48.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 50.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 52.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 55.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 55.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 56.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 58.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 59.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 62.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 63.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 65.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 67.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 69.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 73.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 74.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 76.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 77.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 79.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 82.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 84.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 86.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 91.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 93.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 96.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 97.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 104.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 106.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 107.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 108.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 110.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 112.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 116.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 120.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 121.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 126.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 128.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 128.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 132.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 134.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 135.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 137.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 138.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 140.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 143.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 146.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 147.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 151.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 152.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 153.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 155.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 156.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 156.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 158.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 159.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 161.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 163.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 166.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 167.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 169.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 170.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 172.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 173.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 176.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 177.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 178.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 180.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 182.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 184.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 186.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 190.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 192.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 194.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 195.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 196.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 198.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 198.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 199.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 202.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 204.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 205.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 206.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 209.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 209.7
Bfactors> 106 vectors, 6297 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 : 12.580000
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= 0.715 for 135 C-alpha atoms.
Bfactors> = 0.007 +/- 0.01
Bfactors> = 38.040 +/- 10.65
Bfactors> Shiftng-fct= 38.033
Bfactors> Scaling-fct= 1005.318
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240416193437756903 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=0
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=100
240416193437756903.eigenfacs
240416193437756903.atom
making animated gifs
11 models are in 240416193437756903.7.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 240416193437756903.7.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 240416193437756903.7.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 240416193437756903 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=0
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=100
240416193437756903.eigenfacs
240416193437756903.atom
making animated gifs
11 models are in 240416193437756903.8.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 240416193437756903.8.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 240416193437756903.8.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 240416193437756903 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=0
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=100
240416193437756903.eigenfacs
240416193437756903.atom
making animated gifs
11 models are in 240416193437756903.9.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 240416193437756903.9.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 240416193437756903.9.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 240416193437756903 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=0
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=100
240416193437756903.eigenfacs
240416193437756903.atom
making animated gifs
11 models are in 240416193437756903.10.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 240416193437756903.10.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 240416193437756903.10.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 240416193437756903 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=-20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=0
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=20
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=40
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=60
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=80
240416193437756903.eigenfacs
240416193437756903.atom
calculating perturbed structure for DQ=100
240416193437756903.eigenfacs
240416193437756903.atom
making animated gifs
11 models are in 240416193437756903.11.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 240416193437756903.11.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 240416193437756903.11.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
240416193437756903.10.pdb
240416193437756903.11.pdb
240416193437756903.7.pdb
240416193437756903.8.pdb
240416193437756903.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.330s
user 0m9.290s
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: 240416193437756903.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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