*** 7dfr ***
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 = 2404041950582372311.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 2404041950582372311.atom to be opened.
Openam> File opened: 2404041950582372311.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 2489
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= 14.540165 +/- 8.311610 From: -7.007000 To: 32.731000
= 21.010546 +/- 7.110133 From: 3.649000 To: 40.477000
= 34.489100 +/- 10.567488 From: 10.190000 To: 58.074000
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 6.2895 % Filled.
Pdbmat> 1753619 non-zero elements.
Pdbmat> 193220 atom-atom interactions.
Pdbmat> Number per atom= 155.26 +/- 48.39
Maximum number = 251
Minimum number = 35
Pdbmat> Matrix trace = 3.864400E+06
Pdbmat> Larger element = 922.041
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
159 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 = 2404041950582372311.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 2404041950582372311.atom to be opened.
Openam> file on opening on unit 11:
2404041950582372311.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2489 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> 159 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 19 atoms in block 2
Block first atom: 20
Blocpdb> 11 atoms in block 3
Block first atom: 39
Blocpdb> 19 atoms in block 4
Block first atom: 50
Blocpdb> 19 atoms in block 5
Block first atom: 69
Blocpdb> 10 atoms in block 6
Block first atom: 88
Blocpdb> 10 atoms in block 7
Block first atom: 98
Blocpdb> 19 atoms in block 8
Block first atom: 108
Blocpdb> 10 atoms in block 9
Block first atom: 127
Blocpdb> 16 atoms in block 10
Block first atom: 137
Blocpdb> 12 atoms in block 11
Block first atom: 153
Blocpdb> 24 atoms in block 12
Block first atom: 165
Blocpdb> 16 atoms in block 13
Block first atom: 189
Blocpdb> 19 atoms in block 14
Block first atom: 205
Blocpdb> 7 atoms in block 15
Block first atom: 224
Blocpdb> 17 atoms in block 16
Block first atom: 231
Blocpdb> 15 atoms in block 17
Block first atom: 248
Blocpdb> 14 atoms in block 18
Block first atom: 263
Blocpdb> 10 atoms in block 19
Block first atom: 277
Blocpdb> 17 atoms in block 20
Block first atom: 287
Blocpdb> 14 atoms in block 21
Block first atom: 304
Blocpdb> 24 atoms in block 22
Block first atom: 318
Blocpdb> 14 atoms in block 23
Block first atom: 342
Blocpdb> 19 atoms in block 24
Block first atom: 356
Blocpdb> 14 atoms in block 25
Block first atom: 375
Blocpdb> 10 atoms in block 26
Block first atom: 389
Blocpdb> 12 atoms in block 27
Block first atom: 399
Blocpdb> 19 atoms in block 28
Block first atom: 411
Blocpdb> 10 atoms in block 29
Block first atom: 430
Blocpdb> 24 atoms in block 30
Block first atom: 440
Blocpdb> 20 atoms in block 31
Block first atom: 464
Blocpdb> 22 atoms in block 32
Block first atom: 484
Blocpdb> 24 atoms in block 33
Block first atom: 506
Blocpdb> 14 atoms in block 34
Block first atom: 530
Blocpdb> 14 atoms in block 35
Block first atom: 544
Blocpdb> 19 atoms in block 36
Block first atom: 558
Blocpdb> 12 atoms in block 37
Block first atom: 577
Blocpdb> 22 atoms in block 38
Block first atom: 589
Blocpdb> 14 atoms in block 39
Block first atom: 611
Blocpdb> 16 atoms in block 40
Block first atom: 625
Blocpdb> 19 atoms in block 41
Block first atom: 641
Blocpdb> 17 atoms in block 42
Block first atom: 660
Blocpdb> 7 atoms in block 43
Block first atom: 677
Blocpdb> 24 atoms in block 44
Block first atom: 684
Blocpdb> 17 atoms in block 45
Block first atom: 708
Blocpdb> 14 atoms in block 46
Block first atom: 725
Blocpdb> 24 atoms in block 47
Block first atom: 739
Blocpdb> 15 atoms in block 48
Block first atom: 763
Blocpdb> 11 atoms in block 49
Block first atom: 778
Blocpdb> 19 atoms in block 50
Block first atom: 789
Blocpdb> 7 atoms in block 51
Block first atom: 808
Blocpdb> 24 atoms in block 52
Block first atom: 815
Blocpdb> 14 atoms in block 53
Block first atom: 839
Blocpdb> 19 atoms in block 54
Block first atom: 853
Blocpdb> 14 atoms in block 55
Block first atom: 872
Blocpdb> 7 atoms in block 56
Block first atom: 886
Blocpdb> 24 atoms in block 57
Block first atom: 893
Blocpdb> 22 atoms in block 58
Block first atom: 917
Blocpdb> 14 atoms in block 59
Block first atom: 939
Blocpdb> 19 atoms in block 60
Block first atom: 953
Blocpdb> 19 atoms in block 61
Block first atom: 972
Blocpdb> 19 atoms in block 62
Block first atom: 991
Blocpdb> 11 atoms in block 63
Block first atom: 1010
Blocpdb> 11 atoms in block 64
Block first atom: 1021
Blocpdb> 17 atoms in block 65
Block first atom: 1032
Blocpdb> 14 atoms in block 66
Block first atom: 1049
Blocpdb> 7 atoms in block 67
Block first atom: 1063
Blocpdb> 14 atoms in block 68
Block first atom: 1070
Blocpdb> 12 atoms in block 69
Block first atom: 1084
Blocpdb> 12 atoms in block 70
Block first atom: 1096
Blocpdb> 24 atoms in block 71
Block first atom: 1108
Blocpdb> 16 atoms in block 72
Block first atom: 1132
Blocpdb> 14 atoms in block 73
Block first atom: 1148
Blocpdb> 24 atoms in block 74
Block first atom: 1162
Blocpdb> 16 atoms in block 75
Block first atom: 1186
Blocpdb> 22 atoms in block 76
Block first atom: 1202
Blocpdb> 11 atoms in block 77
Block first atom: 1224
Blocpdb> 16 atoms in block 78
Block first atom: 1235
Blocpdb> 12 atoms in block 79
Block first atom: 1251
Blocpdb> 15 atoms in block 80
Block first atom: 1263
Blocpdb> 10 atoms in block 81
Block first atom: 1278
Blocpdb> 19 atoms in block 82
Block first atom: 1288
Blocpdb> 10 atoms in block 83
Block first atom: 1307
Blocpdb> 10 atoms in block 84
Block first atom: 1317
Blocpdb> 11 atoms in block 85
Block first atom: 1327
Blocpdb> 7 atoms in block 86
Block first atom: 1338
Blocpdb> 12 atoms in block 87
Block first atom: 1345
Blocpdb> 16 atoms in block 88
Block first atom: 1357
Blocpdb> 14 atoms in block 89
Block first atom: 1373
Blocpdb> 15 atoms in block 90
Block first atom: 1387
Blocpdb> 19 atoms in block 91
Block first atom: 1402
Blocpdb> 17 atoms in block 92
Block first atom: 1421
Blocpdb> 16 atoms in block 93
Block first atom: 1438
Blocpdb> 19 atoms in block 94
Block first atom: 1454
Blocpdb> 7 atoms in block 95
Block first atom: 1473
Blocpdb> 7 atoms in block 96
Block first atom: 1480
Blocpdb> 7 atoms in block 97
Block first atom: 1487
Blocpdb> 24 atoms in block 98
Block first atom: 1494
Blocpdb> 16 atoms in block 99
Block first atom: 1518
Blocpdb> 21 atoms in block 100
Block first atom: 1534
Blocpdb> 15 atoms in block 101
Block first atom: 1555
Blocpdb> 17 atoms in block 102
Block first atom: 1570
Blocpdb> 20 atoms in block 103
Block first atom: 1587
Blocpdb> 19 atoms in block 104
Block first atom: 1607
Blocpdb> 14 atoms in block 105
Block first atom: 1626
Blocpdb> 22 atoms in block 106
Block first atom: 1640
Blocpdb> 10 atoms in block 107
Block first atom: 1662
Blocpdb> 17 atoms in block 108
Block first atom: 1672
Blocpdb> 22 atoms in block 109
Block first atom: 1689
Blocpdb> 19 atoms in block 110
Block first atom: 1711
Blocpdb> 21 atoms in block 111
Block first atom: 1730
Blocpdb> 19 atoms in block 112
Block first atom: 1751
Blocpdb> 14 atoms in block 113
Block first atom: 1770
Blocpdb> 17 atoms in block 114
Block first atom: 1784
Blocpdb> 19 atoms in block 115
Block first atom: 1801
Blocpdb> 12 atoms in block 116
Block first atom: 1820
Blocpdb> 10 atoms in block 117
Block first atom: 1832
Blocpdb> 15 atoms in block 118
Block first atom: 1842
Blocpdb> 16 atoms in block 119
Block first atom: 1857
Blocpdb> 15 atoms in block 120
Block first atom: 1873
Blocpdb> 7 atoms in block 121
Block first atom: 1888
Blocpdb> 12 atoms in block 122
Block first atom: 1895
Blocpdb> 14 atoms in block 123
Block first atom: 1907
Blocpdb> 17 atoms in block 124
Block first atom: 1921
Blocpdb> 20 atoms in block 125
Block first atom: 1938
Blocpdb> 14 atoms in block 126
Block first atom: 1958
Blocpdb> 12 atoms in block 127
Block first atom: 1972
Blocpdb> 21 atoms in block 128
Block first atom: 1984
Blocpdb> 15 atoms in block 129
Block first atom: 2005
Blocpdb> 14 atoms in block 130
Block first atom: 2020
Blocpdb> 12 atoms in block 131
Block first atom: 2034
Blocpdb> 12 atoms in block 132
Block first atom: 2046
Blocpdb> 24 atoms in block 133
Block first atom: 2058
Blocpdb> 15 atoms in block 134
Block first atom: 2082
Blocpdb> 11 atoms in block 135
Block first atom: 2097
Blocpdb> 16 atoms in block 136
Block first atom: 2108
Blocpdb> 20 atoms in block 137
Block first atom: 2124
Blocpdb> 11 atoms in block 138
Block first atom: 2144
Blocpdb> 15 atoms in block 139
Block first atom: 2155
Blocpdb> 20 atoms in block 140
Block first atom: 2170
Blocpdb> 17 atoms in block 141
Block first atom: 2190
Blocpdb> 12 atoms in block 142
Block first atom: 2207
Blocpdb> 10 atoms in block 143
Block first atom: 2219
Blocpdb> 12 atoms in block 144
Block first atom: 2229
Blocpdb> 10 atoms in block 145
Block first atom: 2241
Blocpdb> 17 atoms in block 146
Block first atom: 2251
Blocpdb> 14 atoms in block 147
Block first atom: 2268
Blocpdb> 11 atoms in block 148
Block first atom: 2282
Blocpdb> 17 atoms in block 149
Block first atom: 2293
Blocpdb> 11 atoms in block 150
Block first atom: 2310
Blocpdb> 21 atoms in block 151
Block first atom: 2321
Blocpdb> 11 atoms in block 152
Block first atom: 2342
Blocpdb> 20 atoms in block 153
Block first atom: 2353
Blocpdb> 15 atoms in block 154
Block first atom: 2373
Blocpdb> 19 atoms in block 155
Block first atom: 2388
Blocpdb> 19 atoms in block 156
Block first atom: 2407
Blocpdb> 15 atoms in block 157
Block first atom: 2426
Blocpdb> 24 atoms in block 158
Block first atom: 2441
Blocpdb> 25 atoms in block 159
Block first atom: 2464
Blocpdb> 159 blocks.
Blocpdb> At most, 25 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> 1753778 matrix lines read.
Prepmat> Matrix order = 7467
Prepmat> Matrix trace = 3864400.0000
Prepmat> Last element read: 7467 7467 338.4118
Prepmat> 12721 lines saved.
Prepmat> 10414 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: 2489
RTB> Total mass = 2489.0000
RTB> Number of atoms found in matrix: 2489
RTB> Number of blocks = 159
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 443634.9722
RTB> 80631 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 = 954
Diagstd> Nb of non-zero elements: 80631
Diagstd> Projected matrix trace = 443634.9722
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 954 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 443634.9722
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 9.3146136 12.5790979 15.5299608 18.9304446
21.3226548 22.0655111 26.4111228 29.5419069 32.5776256
33.5365574 37.0416293 40.4397899 41.3214815 44.2693461
49.0589738 49.4647058 51.6877188 52.7097404 55.3109106
57.1164857 58.0322390 60.4144421 62.1863254 63.2747812
64.6961006 70.9110942 72.3713550 74.5267539 75.8039331
78.7949883 80.8223631 82.1706325 84.0362073 86.7957697
88.6465089 92.7266421 93.3196460 95.6678548 98.7796588
99.6480082 101.1897710 102.3365933 106.9979277 108.1162088
109.1906627 110.4800428 113.4368174 115.0141103 115.2111133
117.4147039 118.3183076 121.0468630 122.3540234 125.0226745
126.4931983 127.2178636 128.9447870 132.9480100 133.8080458
135.3582396 136.9012241 137.9267752 141.2514160 141.6173349
142.6586753 144.7315155 145.6411530 146.0647460 149.0803691
150.0541320 151.1492663 152.0756632 154.5205034 157.2370382
157.6160894 160.9835698 161.5148143 162.5874812 164.0732322
166.5133858 167.9966854 170.8967954 171.4516869 174.4643786
175.1440334 175.7390703 177.6550613 179.0450020 179.9720151
180.4802921 181.7585565 182.5560629 183.5322900 185.4249024
186.1266712 187.7232931 187.9089806 188.8650266 190.7617462
191.1966952
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034304 0.0034305 0.0034310 0.0034333 0.0034336
0.0034362 331.4192292 385.1412444 427.9376125 472.4715772
501.4364705 510.0964209 558.0700453 590.2208439 619.8048845
628.8607946 660.9069530 690.5573078 698.0446807 722.5149438
760.5968280 763.7355306 780.7085990 788.3892954 807.6081343
820.6840998 827.2369859 844.0451233 856.3330932 863.7948421
873.4425264 914.4340172 923.8014344 937.4570579 945.4556249
963.9279606 976.2500127 984.3591787 995.4707465 1011.6832500
1022.4123779 1045.6769784 1049.0152981 1062.1315220 1079.2673554
1084.0007717 1092.3544614 1098.5270565 1123.2669055 1129.1215193
1134.7182275 1141.3982363 1156.5709960 1164.5840622 1165.5810199
1176.6749932 1181.1940611 1194.7362738 1201.1698087 1214.1984465
1221.3183070 1224.8117085 1233.0968115 1252.0918851 1256.1352249
1263.3905641 1270.5710213 1275.3211773 1290.6000730 1292.2706742
1297.0131336 1306.4019955 1310.5009331 1312.4053261 1325.8839394
1330.2070946 1335.0523695 1339.1374012 1349.8587852 1361.6726284
1363.3129319 1377.7996088 1380.0711003 1384.6462433 1390.9584176
1401.2636495 1407.4910336 1419.5877395 1421.8905291 1434.3286201
1437.1197363 1439.5589121 1447.3850172 1453.0360234 1456.7927449
1458.8484317 1464.0055150 1467.2138258 1471.1315925 1478.6974020
1481.4929373 1487.8336005 1488.5692676 1492.3512455 1499.8261618
1501.5350385
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2489
Rtb_to_modes> Number of blocs = 159
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: 9.9793E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9799E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9826E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9964E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.315
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 12.58
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 15.53
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 18.93
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 21.32
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 22.07
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 26.41
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 29.54
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 32.58
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 33.54
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 37.04
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 40.44
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 41.32
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 44.27
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 49.06
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 49.46
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 51.69
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 52.71
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 55.31
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 57.12
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 58.03
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 60.41
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 62.19
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 63.27
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 64.70
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 70.91
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 72.37
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 74.53
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 75.80
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 78.79
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 80.82
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 82.17
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 84.04
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 86.80
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 88.65
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 92.73
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 93.32
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 95.67
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 98.78
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 99.65
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 102.3
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 107.0
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 108.1
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 109.2
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 110.5
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 113.4
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 115.0
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 115.2
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 117.4
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 118.3
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 121.0
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 125.0
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 126.5
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 127.2
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 128.9
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 132.9
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 133.8
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 135.4
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 136.9
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 137.9
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 141.3
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 141.6
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 142.7
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 144.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 145.6
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 146.1
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 149.1
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 150.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 151.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 152.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 154.5
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 157.2
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 157.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 161.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 161.5
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 162.6
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 164.1
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 166.5
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 168.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 170.9
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 171.5
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 174.5
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 175.1
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 175.7
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 177.7
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 179.0
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 180.0
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 180.5
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 181.8
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 182.6
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 183.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 185.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 186.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 187.7
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 187.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 188.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 190.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 191.2
Rtb_to_modes> 106 vectors, with 954 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99998 1.00000 1.00002 0.99996
1.00002 1.00002 1.00002 1.00001 0.99996
1.00000 0.99999 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 1.00001 0.99996
1.00000 1.00002 1.00001 1.00000 1.00000
1.00001 1.00003 0.99998 1.00005 1.00001
0.99999 0.99998 0.99999 0.99998 1.00000
0.99999 0.99997 1.00000 0.99998 0.99998
0.99997 0.99997 1.00001 0.99998 0.99999
0.99998 0.99998 1.00001 0.99999 1.00000
1.00000 0.99998 0.99998 1.00000 0.99999
1.00001 1.00002 1.00000 1.00002 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
1.00004 1.00001 1.00001 1.00001 1.00001
1.00000 1.00000 0.99999 1.00004 0.99999
0.99999 1.00002 0.99998 1.00002 1.00000
1.00000 1.00001 1.00000 1.00002 1.00000
1.00000 1.00001 1.00001 1.00000 1.00001
1.00000 1.00000 0.99997 1.00001 0.99997
1.00000 1.00001 1.00000 1.00000 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 44802 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99998 1.00000
1.00000 0.99998 1.00000 1.00002 0.99996
1.00002 1.00002 1.00002 1.00001 0.99996
1.00000 0.99999 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 1.00001 0.99996
1.00000 1.00002 1.00001 1.00000 1.00000
1.00001 1.00003 0.99998 1.00005 1.00001
0.99999 0.99998 0.99999 0.99998 1.00000
0.99999 0.99997 1.00000 0.99998 0.99998
0.99997 0.99997 1.00001 0.99998 0.99999
0.99998 0.99998 1.00001 0.99999 1.00000
1.00000 0.99998 0.99998 1.00000 0.99999
1.00001 1.00002 1.00000 1.00002 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
1.00004 1.00001 1.00001 1.00001 1.00001
1.00000 1.00000 0.99999 1.00004 0.99999
0.99999 1.00002 0.99998 1.00002 1.00000
1.00000 1.00001 1.00000 1.00002 1.00000
1.00000 1.00001 1.00001 1.00000 1.00001
1.00000 1.00000 0.99997 1.00001 0.99997
1.00000 1.00001 1.00000 1.00000 1.00002
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000-0.000 0.000
Vector 7:-0.000-0.000-0.000 0.000 0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000-0.000-0.000-0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000 0.000-0.000 0.000
Vector 10:-0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404041950582372311.eigenfacs
Openam> file on opening on unit 10:
2404041950582372311.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404041950582372311.atom
Openam> file on opening on unit 11:
2404041950582372311.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 2489
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9793E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9799E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9826E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 15.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 22.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 26.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 29.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 32.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 33.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 37.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 40.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 41.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 44.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 49.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 49.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 51.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 52.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 55.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 57.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 58.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 60.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 62.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 63.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 64.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 70.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 72.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 74.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 75.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 78.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 80.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 82.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 84.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 86.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 88.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 92.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 93.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 95.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 98.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 99.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 102.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 107.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 108.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 109.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 110.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 113.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 115.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 115.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 117.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 121.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 125.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 126.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 127.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 128.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 132.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 133.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 135.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 136.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 137.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 141.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 141.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 144.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 145.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 146.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 149.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 151.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 152.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 154.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 157.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 157.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 161.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 161.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 162.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 164.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 166.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 168.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 170.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 171.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 174.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 175.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 175.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 177.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 179.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 180.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 180.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 181.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 182.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 183.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 185.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 186.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 187.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 187.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 188.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 190.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 191.2
Bfactors> 106 vectors, 7467 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 : 9.315000
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= 0.348 for 159 C-alpha atoms.
Bfactors> = 0.007 +/- 0.01
Bfactors> = 43.121 +/- 9.20
Bfactors> Shiftng-fct= 43.114
Bfactors> Scaling-fct= 1200.892
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404041950582372311 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.7.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 2404041950582372311.7.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 2404041950582372311.7.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 2404041950582372311 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.8.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 2404041950582372311.8.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 2404041950582372311.8.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 2404041950582372311 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.9.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 2404041950582372311.9.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 2404041950582372311.9.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 2404041950582372311 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.10.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 2404041950582372311.10.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 2404041950582372311.10.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 2404041950582372311 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.11.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 2404041950582372311.11.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 2404041950582372311.11.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
getting mode 12
running: ../../bin/get_modes.sh 2404041950582372311 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.12.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 2404041950582372311.12.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 2404041950582372311.12.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 13
running: ../../bin/get_modes.sh 2404041950582372311 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.13.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 2404041950582372311.13.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 2404041950582372311.13.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 14
running: ../../bin/get_modes.sh 2404041950582372311 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.14.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 2404041950582372311.14.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 2404041950582372311.14.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 15
running: ../../bin/get_modes.sh 2404041950582372311 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.15.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 2404041950582372311.15.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 2404041950582372311.15.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 16
running: ../../bin/get_modes.sh 2404041950582372311 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=-20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=0
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=20
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=40
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=60
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=80
2404041950582372311.eigenfacs
2404041950582372311.atom
calculating perturbed structure for DQ=100
2404041950582372311.eigenfacs
2404041950582372311.atom
making animated gifs
11 models are in 2404041950582372311.16.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 2404041950582372311.16.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 2404041950582372311.16.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
2404041950582372311.10.pdb
2404041950582372311.11.pdb
2404041950582372311.12.pdb
2404041950582372311.13.pdb
2404041950582372311.14.pdb
2404041950582372311.15.pdb
2404041950582372311.16.pdb
2404041950582372311.7.pdb
2404041950582372311.8.pdb
2404041950582372311.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.666s
user 0m14.591s
sys 0m0.052s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404041950582372311.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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