*** a1 ***
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 = 2404231419392074792.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 2404231419392074792.atom to be opened.
Openam> File opened: 2404231419392074792.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 = 154
First residue number = 323
Last residue number = 476
Number of atoms found = 2377
Mean number per residue = 15.4
Pdbmat> Coordinate statistics:
= -2.588529 +/- 9.895065 From: -25.058000 To: 19.304000
= -21.619932 +/- 7.073607 From: -36.604000 To: -2.756000
= -21.455631 +/- 8.856864 From: -43.510000 To: -3.373000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 5 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 6.4439 % Filled.
Pdbmat> 1638637 non-zero elements.
Pdbmat> 180515 atom-atom interactions.
Pdbmat> Number per atom= 151.88 +/- 47.66
Maximum number = 246
Minimum number = 34
Pdbmat> Matrix trace = 3.610300E+06
Pdbmat> Larger element = 885.968
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
154 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 = 2404231419392074792.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 2404231419392074792.atom to be opened.
Openam> file on opening on unit 11:
2404231419392074792.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2377 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> 154 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 17 atoms in block 2
Block first atom: 19
Blocpdb> 15 atoms in block 3
Block first atom: 36
Blocpdb> 14 atoms in block 4
Block first atom: 51
Blocpdb> 16 atoms in block 5
Block first atom: 65
Blocpdb> 12 atoms in block 6
Block first atom: 81
Blocpdb> 17 atoms in block 7
Block first atom: 93
Blocpdb> 14 atoms in block 8
Block first atom: 110
Blocpdb> 15 atoms in block 9
Block first atom: 124
Blocpdb> 16 atoms in block 10
Block first atom: 139
Blocpdb> 19 atoms in block 11
Block first atom: 155
Blocpdb> 12 atoms in block 12
Block first atom: 174
Blocpdb> 24 atoms in block 13
Block first atom: 186
Blocpdb> 11 atoms in block 14
Block first atom: 210
Blocpdb> 19 atoms in block 15
Block first atom: 221
Blocpdb> 15 atoms in block 16
Block first atom: 240
Blocpdb> 24 atoms in block 17
Block first atom: 255
Blocpdb> 16 atoms in block 18
Block first atom: 279
Blocpdb> 24 atoms in block 19
Block first atom: 295
Blocpdb> 24 atoms in block 20
Block first atom: 319
Blocpdb> 24 atoms in block 21
Block first atom: 343
Blocpdb> 24 atoms in block 22
Block first atom: 367
Blocpdb> 11 atoms in block 23
Block first atom: 391
Blocpdb> 12 atoms in block 24
Block first atom: 402
Blocpdb> 19 atoms in block 25
Block first atom: 414
Blocpdb> 15 atoms in block 26
Block first atom: 433
Blocpdb> 20 atoms in block 27
Block first atom: 448
Blocpdb> 15 atoms in block 28
Block first atom: 468
Blocpdb> 16 atoms in block 29
Block first atom: 483
Blocpdb> 14 atoms in block 30
Block first atom: 499
Blocpdb> 16 atoms in block 31
Block first atom: 513
Blocpdb> 14 atoms in block 32
Block first atom: 529
Blocpdb> 14 atoms in block 33
Block first atom: 543
Blocpdb> 24 atoms in block 34
Block first atom: 557
Blocpdb> 17 atoms in block 35
Block first atom: 581
Blocpdb> 16 atoms in block 36
Block first atom: 598
Blocpdb> 19 atoms in block 37
Block first atom: 614
Blocpdb> 7 atoms in block 38
Block first atom: 633
Blocpdb> 12 atoms in block 39
Block first atom: 640
Blocpdb> 11 atoms in block 40
Block first atom: 652
Blocpdb> 11 atoms in block 41
Block first atom: 663
Blocpdb> 7 atoms in block 42
Block first atom: 674
Blocpdb> 19 atoms in block 43
Block first atom: 681
Blocpdb> 7 atoms in block 44
Block first atom: 700
Blocpdb> 24 atoms in block 45
Block first atom: 707
Blocpdb> 10 atoms in block 46
Block first atom: 731
Blocpdb> 16 atoms in block 47
Block first atom: 741
Blocpdb> 19 atoms in block 48
Block first atom: 757
Blocpdb> 14 atoms in block 49
Block first atom: 776
Blocpdb> 16 atoms in block 50
Block first atom: 790
Blocpdb> 19 atoms in block 51
Block first atom: 806
Blocpdb> 12 atoms in block 52
Block first atom: 825
Blocpdb> 14 atoms in block 53
Block first atom: 837
Blocpdb> 10 atoms in block 54
Block first atom: 851
Blocpdb> 10 atoms in block 55
Block first atom: 861
Blocpdb> 22 atoms in block 56
Block first atom: 871
Blocpdb> 24 atoms in block 57
Block first atom: 893
Blocpdb> 11 atoms in block 58
Block first atom: 917
Blocpdb> 14 atoms in block 59
Block first atom: 928
Blocpdb> 14 atoms in block 60
Block first atom: 942
Blocpdb> 7 atoms in block 61
Block first atom: 956
Blocpdb> 7 atoms in block 62
Block first atom: 963
Blocpdb> 24 atoms in block 63
Block first atom: 970
Blocpdb> 16 atoms in block 64
Block first atom: 994
Blocpdb> 7 atoms in block 65
Block first atom: 1010
Blocpdb> 16 atoms in block 66
Block first atom: 1017
Blocpdb> 24 atoms in block 67
Block first atom: 1033
Blocpdb> 19 atoms in block 68
Block first atom: 1057
Blocpdb> 21 atoms in block 69
Block first atom: 1076
Blocpdb> 17 atoms in block 70
Block first atom: 1097
Blocpdb> 19 atoms in block 71
Block first atom: 1114
Blocpdb> 12 atoms in block 72
Block first atom: 1133
Blocpdb> 14 atoms in block 73
Block first atom: 1145
Blocpdb> 7 atoms in block 74
Block first atom: 1159
Blocpdb> 17 atoms in block 75
Block first atom: 1166
Blocpdb> 10 atoms in block 76
Block first atom: 1183
Blocpdb> 15 atoms in block 77
Block first atom: 1193
Blocpdb> 19 atoms in block 78
Block first atom: 1208
Blocpdb> 16 atoms in block 79
Block first atom: 1227
Blocpdb> 19 atoms in block 80
Block first atom: 1243
Blocpdb> 14 atoms in block 81
Block first atom: 1262
Blocpdb> 12 atoms in block 82
Block first atom: 1276
Blocpdb> 17 atoms in block 83
Block first atom: 1288
Blocpdb> 7 atoms in block 84
Block first atom: 1305
Blocpdb> 14 atoms in block 85
Block first atom: 1312
Blocpdb> 7 atoms in block 86
Block first atom: 1326
Blocpdb> 19 atoms in block 87
Block first atom: 1333
Blocpdb> 14 atoms in block 88
Block first atom: 1352
Blocpdb> 14 atoms in block 89
Block first atom: 1366
Blocpdb> 17 atoms in block 90
Block first atom: 1380
Blocpdb> 15 atoms in block 91
Block first atom: 1397
Blocpdb> 24 atoms in block 92
Block first atom: 1412
Blocpdb> 17 atoms in block 93
Block first atom: 1436
Blocpdb> 19 atoms in block 94
Block first atom: 1453
Blocpdb> 16 atoms in block 95
Block first atom: 1472
Blocpdb> 20 atoms in block 96
Block first atom: 1488
Blocpdb> 15 atoms in block 97
Block first atom: 1508
Blocpdb> 24 atoms in block 98
Block first atom: 1523
Blocpdb> 20 atoms in block 99
Block first atom: 1547
Blocpdb> 20 atoms in block 100
Block first atom: 1567
Blocpdb> 24 atoms in block 101
Block first atom: 1587
Blocpdb> 11 atoms in block 102
Block first atom: 1611
Blocpdb> 10 atoms in block 103
Block first atom: 1622
Blocpdb> 11 atoms in block 104
Block first atom: 1632
Blocpdb> 10 atoms in block 105
Block first atom: 1643
Blocpdb> 24 atoms in block 106
Block first atom: 1653
Blocpdb> 11 atoms in block 107
Block first atom: 1677
Blocpdb> 17 atoms in block 108
Block first atom: 1688
Blocpdb> 14 atoms in block 109
Block first atom: 1705
Blocpdb> 7 atoms in block 110
Block first atom: 1719
Blocpdb> 11 atoms in block 111
Block first atom: 1726
Blocpdb> 7 atoms in block 112
Block first atom: 1737
Blocpdb> 19 atoms in block 113
Block first atom: 1744
Blocpdb> 7 atoms in block 114
Block first atom: 1763
Blocpdb> 19 atoms in block 115
Block first atom: 1770
Blocpdb> 10 atoms in block 116
Block first atom: 1789
Blocpdb> 19 atoms in block 117
Block first atom: 1799
Blocpdb> 16 atoms in block 118
Block first atom: 1818
Blocpdb> 22 atoms in block 119
Block first atom: 1834
Blocpdb> 17 atoms in block 120
Block first atom: 1856
Blocpdb> 16 atoms in block 121
Block first atom: 1873
Blocpdb> 16 atoms in block 122
Block first atom: 1889
Blocpdb> 19 atoms in block 123
Block first atom: 1905
Blocpdb> 22 atoms in block 124
Block first atom: 1924
Blocpdb> 17 atoms in block 125
Block first atom: 1946
Blocpdb> 7 atoms in block 126
Block first atom: 1963
Blocpdb> 7 atoms in block 127
Block first atom: 1970
Blocpdb> 10 atoms in block 128
Block first atom: 1977
Blocpdb> 19 atoms in block 129
Block first atom: 1987
Blocpdb> 24 atoms in block 130
Block first atom: 2006
Blocpdb> 16 atoms in block 131
Block first atom: 2030
Blocpdb> 12 atoms in block 132
Block first atom: 2046
Blocpdb> 21 atoms in block 133
Block first atom: 2058
Blocpdb> 10 atoms in block 134
Block first atom: 2079
Blocpdb> 12 atoms in block 135
Block first atom: 2089
Blocpdb> 14 atoms in block 136
Block first atom: 2101
Blocpdb> 10 atoms in block 137
Block first atom: 2115
Blocpdb> 10 atoms in block 138
Block first atom: 2125
Blocpdb> 17 atoms in block 139
Block first atom: 2135
Blocpdb> 14 atoms in block 140
Block first atom: 2152
Blocpdb> 14 atoms in block 141
Block first atom: 2166
Blocpdb> 7 atoms in block 142
Block first atom: 2180
Blocpdb> 14 atoms in block 143
Block first atom: 2187
Blocpdb> 10 atoms in block 144
Block first atom: 2201
Blocpdb> 19 atoms in block 145
Block first atom: 2211
Blocpdb> 17 atoms in block 146
Block first atom: 2230
Blocpdb> 19 atoms in block 147
Block first atom: 2247
Blocpdb> 16 atoms in block 148
Block first atom: 2266
Blocpdb> 19 atoms in block 149
Block first atom: 2282
Blocpdb> 14 atoms in block 150
Block first atom: 2301
Blocpdb> 7 atoms in block 151
Block first atom: 2315
Blocpdb> 24 atoms in block 152
Block first atom: 2322
Blocpdb> 14 atoms in block 153
Block first atom: 2346
Blocpdb> 18 atoms in block 154
Block first atom: 2359
Blocpdb> 154 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> 1638791 matrix lines read.
Prepmat> Matrix order = 7131
Prepmat> Matrix trace = 3610300.0000
Prepmat> Last element read: 7131 7131 359.6165
Prepmat> 11936 lines saved.
Prepmat> 9733 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: 2377
RTB> Total mass = 2377.0000
RTB> Number of atoms found in matrix: 2377
RTB> Number of blocks = 154
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 427992.4820
RTB> 76962 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 = 924
Diagstd> Nb of non-zero elements: 76962
Diagstd> Projected matrix trace = 427992.4820
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 924 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 427992.4820
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 10.4213881 12.4711219 15.4029819 16.6162960
21.9356072 24.0453589 26.0545822 27.1610624 31.4540440
32.8539555 34.3972180 36.1093531 40.9235969 43.6233991
45.5123787 48.1158270 48.6044314 51.1472858 52.9993283
56.2206646 57.9540591 59.3723537 59.5383656 61.5222813
65.5318325 66.1248319 68.9943526 70.9473343 73.9365689
75.9703915 77.2693971 77.8565839 78.3890149 84.8627395
85.2677186 85.8475305 87.0580547 89.8784065 90.4139579
93.9051871 94.7691166 96.1856431 98.2502467 102.4499783
103.5766932 105.4365190 106.2426900 108.4623209 109.6067561
112.7049299 115.2879906 115.8453351 117.6718632 118.2395849
121.1684009 123.9331793 125.8755825 126.7263480 128.5795142
129.8520953 130.4014474 131.5505262 134.9659237 137.1137695
137.9090208 141.4695564 142.6923402 143.7988693 144.6825271
145.2661083 146.0561227 146.7666324 150.9953537 151.7083215
155.5791397 157.8360737 158.8002476 160.4274966 162.2799964
162.8893061 165.3668366 166.7872725 167.3162401 169.1715611
170.7001360 171.6544945 173.2312492 174.1821739 176.1332995
176.7556958 177.6020187 181.1111079 182.4655653 184.9952954
185.2805078 185.6642567 186.7005794 187.0166198 188.5299870
189.7257354
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034282 0.0034331 0.0034331 0.0034340 0.0034353
0.0034361 350.5565333 383.4847004 426.1845310 442.6519589
508.5926868 532.4893325 554.2903748 565.9377415 609.0227628
622.4279877 636.8790157 652.5369885 694.6758151 717.2243598
732.5884170 753.2502032 757.0650784 776.6164336 790.5520391
814.2228157 826.6795797 836.7339936 837.9029788 851.7487325
879.0659060 883.0342947 901.9906845 914.6676549 933.7377706
946.4931221 954.5507917 958.1708458 961.4415428 1000.3542096
1002.7382970 1006.1417803 1013.2106818 1029.4919669 1032.5545879
1052.3012140 1057.1307272 1065.0019591 1076.3712891 1099.1354509
1105.1629096 1115.0409313 1119.2956333 1130.9274020 1136.8782096
1152.8338952 1165.9698356 1168.7848009 1177.9628531 1180.8010438
1195.3359152 1208.8963761 1218.3330536 1222.4433434 1231.3490243
1237.4274938 1240.0422610 1245.4938145 1261.5583600 1271.5569489
1275.2390927 1291.5962521 1297.1661603 1302.1859820 1306.1808826
1308.8124912 1312.3665848 1315.5548043 1334.3724667 1337.5190674
1354.4749050 1364.2639863 1368.4245843 1375.4179366 1383.3363052
1385.9308654 1396.4310266 1402.4155987 1404.6377261 1412.4040647
1418.7707095 1422.7312471 1429.2506517 1433.1681021 1441.1726632
1443.7167295 1447.1689279 1461.3956959 1466.8501135 1476.9834275
1478.1215420 1479.6514765 1483.7752179 1485.0305288 1491.0269698
1495.7479034
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2377
Rtb_to_modes> Number of blocs = 154
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: 9.9664E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9951E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 10.42
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 16.62
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 26.05
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 27.16
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 31.45
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 32.85
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 34.40
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 40.92
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 43.62
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 45.51
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 48.60
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 51.15
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 53.00
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 56.22
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 57.95
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 59.37
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 59.54
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 61.52
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 65.53
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 66.12
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 68.99
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 70.95
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 73.94
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 75.97
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 77.27
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 77.86
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 78.39
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 84.86
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 85.27
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 85.85
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 87.06
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 89.88
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 90.41
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 93.91
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 94.77
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 96.19
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 98.25
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 102.4
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 103.6
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 105.4
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 106.2
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 108.5
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 109.6
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 112.7
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 115.3
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 115.8
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 117.7
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 118.2
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 121.2
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 123.9
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 125.9
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 126.7
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 128.6
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 129.9
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 130.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 131.6
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 135.0
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 137.1
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 137.9
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 141.5
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 142.7
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 143.8
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 144.7
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 145.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 146.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 146.8
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 151.0
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 151.7
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 155.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 157.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 158.8
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 160.4
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 162.3
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 162.9
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 165.4
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 166.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 167.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 169.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 170.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 171.7
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 173.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 174.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 176.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 176.8
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 177.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 181.1
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 182.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 185.0
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 185.3
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 185.7
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 186.7
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 187.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 188.5
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 189.7
Rtb_to_modes> 106 vectors, with 924 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 0.99999 1.00000
1.00000 1.00000 1.00001 0.99998 0.99999
1.00000 1.00002 1.00000 1.00000 0.99999
0.99999 1.00000 1.00002 0.99998 0.99998
1.00002 0.99999 0.99999 0.99996 1.00000
1.00001 1.00000 1.00005 1.00002 1.00000
0.99999 0.99998 0.99997 1.00000 1.00000
0.99998 1.00004 1.00001 1.00000 0.99998
1.00000 1.00001 1.00000 0.99999 1.00000
1.00001 0.99999 1.00000 1.00003 0.99998
0.99999 1.00004 1.00001 0.99998 1.00000
1.00003 1.00000 1.00002 0.99999 1.00000
1.00000 0.99998 0.99996 0.99998 0.99999
1.00002 1.00000 1.00001 1.00001 1.00002
0.99999 1.00002 0.99999 1.00002 0.99997
0.99999 1.00000 0.99999 0.99998 1.00002
1.00003 1.00001 1.00000 1.00001 1.00002
0.99999 1.00000 1.00001 1.00000 1.00001
1.00002 1.00001 1.00002 1.00001 1.00001
0.99998 1.00001 1.00002 0.99998 0.99999
0.99999 1.00001 1.00000 0.99999 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 42786 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 0.99999 1.00000
1.00000 1.00000 1.00001 0.99998 0.99999
1.00000 1.00002 1.00000 1.00000 0.99999
0.99999 1.00000 1.00002 0.99998 0.99998
1.00002 0.99999 0.99999 0.99996 1.00000
1.00001 1.00000 1.00005 1.00002 1.00000
0.99999 0.99998 0.99997 1.00000 1.00000
0.99998 1.00004 1.00001 1.00000 0.99998
1.00000 1.00001 1.00000 0.99999 1.00000
1.00001 0.99999 1.00000 1.00003 0.99998
0.99999 1.00004 1.00001 0.99998 1.00000
1.00003 1.00000 1.00002 0.99999 1.00000
1.00000 0.99998 0.99996 0.99998 0.99999
1.00002 1.00000 1.00001 1.00001 1.00002
0.99999 1.00002 0.99999 1.00002 0.99997
0.99999 1.00000 0.99999 0.99998 1.00002
1.00003 1.00001 1.00000 1.00001 1.00002
0.99999 1.00000 1.00001 1.00000 1.00001
1.00002 1.00001 1.00002 1.00001 1.00001
0.99998 1.00001 1.00002 0.99998 0.99999
0.99999 1.00001 1.00000 0.99999 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000 0.000
Vector 6: 0.000-0.000 0.000-0.000 0.000
Vector 7:-0.000 0.000 0.000 0.000 0.000 0.000
Vector 8: 0.000 0.000 0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000-0.000-0.000-0.000 0.000
Vector 10: 0.000-0.000 0.000-0.000 0.000-0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404231419392074792.eigenfacs
Openam> file on opening on unit 10:
2404231419392074792.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404231419392074792.atom
Openam> file on opening on unit 11:
2404231419392074792.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 = 154
First residue number = 323
Last residue number = 476
Number of atoms found = 2377
Mean number per residue = 15.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9664E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 26.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 27.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 31.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 32.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 34.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 40.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 43.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 45.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 48.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 51.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 53.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 56.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 57.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 59.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 59.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 61.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 65.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 66.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 68.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 70.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 73.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 75.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 77.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 77.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 78.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 84.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 85.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 85.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 87.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 89.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 90.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 93.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 94.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 96.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 98.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 102.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 103.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 105.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 108.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 109.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 112.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 115.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 115.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 118.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 121.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 123.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 125.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 126.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 128.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 129.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 130.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 131.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 135.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 137.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 137.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 141.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 143.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 144.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 145.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 146.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 146.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 151.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 155.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 157.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 158.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 160.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 162.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 162.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 165.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 166.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 167.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 169.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 170.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 171.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 173.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 174.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 176.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 176.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 177.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 181.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 182.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 185.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 185.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 185.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 186.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 187.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 188.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 189.7
Bfactors> 106 vectors, 7131 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 : 10.420000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.007 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.007
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404231419392074792 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=0
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=100
2404231419392074792.eigenfacs
2404231419392074792.atom
making animated gifs
11 models are in 2404231419392074792.7.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 2404231419392074792.7.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 2404231419392074792.7.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 2404231419392074792 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=0
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=100
2404231419392074792.eigenfacs
2404231419392074792.atom
making animated gifs
11 models are in 2404231419392074792.8.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 2404231419392074792.8.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 2404231419392074792.8.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 2404231419392074792 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=0
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=100
2404231419392074792.eigenfacs
2404231419392074792.atom
making animated gifs
11 models are in 2404231419392074792.9.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 2404231419392074792.9.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 2404231419392074792.9.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 2404231419392074792 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=0
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=100
2404231419392074792.eigenfacs
2404231419392074792.atom
making animated gifs
11 models are in 2404231419392074792.10.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 2404231419392074792.10.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 2404231419392074792.10.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 2404231419392074792 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=-20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=0
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=20
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=40
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=60
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=80
2404231419392074792.eigenfacs
2404231419392074792.atom
calculating perturbed structure for DQ=100
2404231419392074792.eigenfacs
2404231419392074792.atom
making animated gifs
11 models are in 2404231419392074792.11.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 2404231419392074792.11.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 2404231419392074792.11.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
2404231419392074792.10.pdb
2404231419392074792.11.pdb
2404231419392074792.7.pdb
2404231419392074792.8.pdb
2404231419392074792.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.087s
user 0m13.030s
sys 0m0.056s
../../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: 2404231419392074792.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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