*** ***
output from eigenvector calculation:
STDOUT:
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 = 2402182157513347386.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 2402182157513347386.atom to be opened.
Openam> File opened: 2402182157513347386.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 1538
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 2.751174 +/- 9.365971 From: -20.752000 To: 23.497000
= -0.094492 +/- 7.683211 From: -19.898000 To: 20.086000
= 31.253308 +/- 10.822409 From: 7.532000 To: 55.003000
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 5.2906 % Filled.
Pdbmat> 563278 non-zero elements.
Pdbmat> 61575 atom-atom interactions.
Pdbmat> Number per atom= 80.07 +/- 24.48
Maximum number = 132
Minimum number = 19
Pdbmat> Matrix trace = 1.231500E+06
Pdbmat> Larger element = 483.384
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
194 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 = 2402182157513347386.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 2402182157513347386.atom to be opened.
Openam> file on opening on unit 11:
2402182157513347386.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1538 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> 194 residues.
Blocpdb> 6 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 7
Blocpdb> 7 atoms in block 3
Block first atom: 14
Blocpdb> 6 atoms in block 4
Block first atom: 21
Blocpdb> 9 atoms in block 5
Block first atom: 27
Blocpdb> 9 atoms in block 6
Block first atom: 36
Blocpdb> 7 atoms in block 7
Block first atom: 45
Blocpdb> 12 atoms in block 8
Block first atom: 52
Blocpdb> 9 atoms in block 9
Block first atom: 64
Blocpdb> 4 atoms in block 10
Block first atom: 73
Blocpdb> 6 atoms in block 11
Block first atom: 77
Blocpdb> 12 atoms in block 12
Block first atom: 83
Blocpdb> 4 atoms in block 13
Block first atom: 95
Blocpdb> 11 atoms in block 14
Block first atom: 99
Blocpdb> 11 atoms in block 15
Block first atom: 110
Blocpdb> 8 atoms in block 16
Block first atom: 121
Blocpdb> 4 atoms in block 17
Block first atom: 129
Blocpdb> 11 atoms in block 18
Block first atom: 133
Blocpdb> 8 atoms in block 19
Block first atom: 144
Blocpdb> 10 atoms in block 20
Block first atom: 152
Blocpdb> 6 atoms in block 21
Block first atom: 162
Blocpdb> 4 atoms in block 22
Block first atom: 168
Blocpdb> 7 atoms in block 23
Block first atom: 172
Blocpdb> 5 atoms in block 24
Block first atom: 179
Blocpdb> 9 atoms in block 25
Block first atom: 184
Blocpdb> 6 atoms in block 26
Block first atom: 193
Blocpdb> 7 atoms in block 27
Block first atom: 199
Blocpdb> 7 atoms in block 28
Block first atom: 206
Blocpdb> 6 atoms in block 29
Block first atom: 213
Blocpdb> 7 atoms in block 30
Block first atom: 219
Blocpdb> 12 atoms in block 31
Block first atom: 226
Blocpdb> 6 atoms in block 32
Block first atom: 238
Blocpdb> 7 atoms in block 33
Block first atom: 244
Blocpdb> 5 atoms in block 34
Block first atom: 251
Blocpdb> 8 atoms in block 35
Block first atom: 256
Blocpdb> 8 atoms in block 36
Block first atom: 264
Blocpdb> 9 atoms in block 37
Block first atom: 272
Blocpdb> 13 atoms in block 38
Block first atom: 281
Blocpdb> 11 atoms in block 39
Block first atom: 294
Blocpdb> 6 atoms in block 40
Block first atom: 305
Blocpdb> 9 atoms in block 41
Block first atom: 311
Blocpdb> 8 atoms in block 42
Block first atom: 320
Blocpdb> 5 atoms in block 43
Block first atom: 328
Blocpdb> 9 atoms in block 44
Block first atom: 333
Blocpdb> 7 atoms in block 45
Block first atom: 342
Blocpdb> 9 atoms in block 46
Block first atom: 349
Blocpdb> 7 atoms in block 47
Block first atom: 358
Blocpdb> 7 atoms in block 48
Block first atom: 365
Blocpdb> 9 atoms in block 49
Block first atom: 372
Blocpdb> 8 atoms in block 50
Block first atom: 381
Blocpdb> 14 atoms in block 51
Block first atom: 389
Blocpdb> 7 atoms in block 52
Block first atom: 403
Blocpdb> 8 atoms in block 53
Block first atom: 410
Blocpdb> 6 atoms in block 54
Block first atom: 418
Blocpdb> 7 atoms in block 55
Block first atom: 424
Blocpdb> 7 atoms in block 56
Block first atom: 431
Blocpdb> 7 atoms in block 57
Block first atom: 438
Blocpdb> 7 atoms in block 58
Block first atom: 445
Blocpdb> 4 atoms in block 59
Block first atom: 452
Blocpdb> 7 atoms in block 60
Block first atom: 456
Blocpdb> 11 atoms in block 61
Block first atom: 463
Blocpdb> 11 atoms in block 62
Block first atom: 474
Blocpdb> 11 atoms in block 63
Block first atom: 485
Blocpdb> 5 atoms in block 64
Block first atom: 496
Blocpdb> 8 atoms in block 65
Block first atom: 501
Blocpdb> 5 atoms in block 66
Block first atom: 509
Blocpdb> 8 atoms in block 67
Block first atom: 514
Blocpdb> 12 atoms in block 68
Block first atom: 522
Blocpdb> 9 atoms in block 69
Block first atom: 534
Blocpdb> 9 atoms in block 70
Block first atom: 543
Blocpdb> 6 atoms in block 71
Block first atom: 552
Blocpdb> 9 atoms in block 72
Block first atom: 558
Blocpdb> 10 atoms in block 73
Block first atom: 567
Blocpdb> 8 atoms in block 74
Block first atom: 577
Blocpdb> 7 atoms in block 75
Block first atom: 585
Blocpdb> 9 atoms in block 76
Block first atom: 592
Blocpdb> 7 atoms in block 77
Block first atom: 601
Blocpdb> 7 atoms in block 78
Block first atom: 608
Blocpdb> 11 atoms in block 79
Block first atom: 615
Blocpdb> 11 atoms in block 80
Block first atom: 626
Blocpdb> 6 atoms in block 81
Block first atom: 637
Blocpdb> 7 atoms in block 82
Block first atom: 643
Blocpdb> 10 atoms in block 83
Block first atom: 650
Blocpdb> 10 atoms in block 84
Block first atom: 660
Blocpdb> 9 atoms in block 85
Block first atom: 670
Blocpdb> 11 atoms in block 86
Block first atom: 679
Blocpdb> 6 atoms in block 87
Block first atom: 690
Blocpdb> 6 atoms in block 88
Block first atom: 696
Blocpdb> 8 atoms in block 89
Block first atom: 702
Blocpdb> 6 atoms in block 90
Block first atom: 710
Blocpdb> 8 atoms in block 91
Block first atom: 716
Blocpdb> 4 atoms in block 92
Block first atom: 724
Blocpdb> 8 atoms in block 93
Block first atom: 728
Blocpdb> 5 atoms in block 94
Block first atom: 736
Blocpdb> 7 atoms in block 95
Block first atom: 741
Blocpdb> 7 atoms in block 96
Block first atom: 748
Blocpdb> 9 atoms in block 97
Block first atom: 755
Blocpdb> 10 atoms in block 98
Block first atom: 764
Blocpdb> 8 atoms in block 99
Block first atom: 774
Blocpdb> 8 atoms in block 100
Block first atom: 782
Blocpdb> 11 atoms in block 101
Block first atom: 790
Blocpdb> 7 atoms in block 102
Block first atom: 801
Blocpdb> 9 atoms in block 103
Block first atom: 808
Blocpdb> 4 atoms in block 104
Block first atom: 817
Blocpdb> 8 atoms in block 105
Block first atom: 821
Blocpdb> 8 atoms in block 106
Block first atom: 829
Blocpdb> 11 atoms in block 107
Block first atom: 837
Blocpdb> 7 atoms in block 108
Block first atom: 848
Blocpdb> 9 atoms in block 109
Block first atom: 855
Blocpdb> 12 atoms in block 110
Block first atom: 864
Blocpdb> 8 atoms in block 111
Block first atom: 876
Blocpdb> 8 atoms in block 112
Block first atom: 884
Blocpdb> 8 atoms in block 113
Block first atom: 892
Blocpdb> 11 atoms in block 114
Block first atom: 900
Blocpdb> 8 atoms in block 115
Block first atom: 911
Blocpdb> 7 atoms in block 116
Block first atom: 919
Blocpdb> 11 atoms in block 117
Block first atom: 926
Blocpdb> 11 atoms in block 118
Block first atom: 937
Blocpdb> 10 atoms in block 119
Block first atom: 948
Blocpdb> 6 atoms in block 120
Block first atom: 958
Blocpdb> 7 atoms in block 121
Block first atom: 964
Blocpdb> 7 atoms in block 122
Block first atom: 971
Blocpdb> 7 atoms in block 123
Block first atom: 978
Blocpdb> 7 atoms in block 124
Block first atom: 985
Blocpdb> 12 atoms in block 125
Block first atom: 992
Blocpdb> 9 atoms in block 126
Block first atom: 1004
Blocpdb> 7 atoms in block 127
Block first atom: 1013
Blocpdb> 7 atoms in block 128
Block first atom: 1020
Blocpdb> 9 atoms in block 129
Block first atom: 1027
Blocpdb> 7 atoms in block 130
Block first atom: 1036
Blocpdb> 4 atoms in block 131
Block first atom: 1043
Blocpdb> 6 atoms in block 132
Block first atom: 1047
Blocpdb> 8 atoms in block 133
Block first atom: 1053
Blocpdb> 6 atoms in block 134
Block first atom: 1061
Blocpdb> 7 atoms in block 135
Block first atom: 1067
Blocpdb> 7 atoms in block 136
Block first atom: 1074
Blocpdb> 8 atoms in block 137
Block first atom: 1081
Blocpdb> 10 atoms in block 138
Block first atom: 1089
Blocpdb> 12 atoms in block 139
Block first atom: 1099
Blocpdb> 8 atoms in block 140
Block first atom: 1111
Blocpdb> 12 atoms in block 141
Block first atom: 1119
Blocpdb> 8 atoms in block 142
Block first atom: 1131
Blocpdb> 6 atoms in block 143
Block first atom: 1139
Blocpdb> 8 atoms in block 144
Block first atom: 1145
Blocpdb> 6 atoms in block 145
Block first atom: 1153
Blocpdb> 6 atoms in block 146
Block first atom: 1159
Blocpdb> 6 atoms in block 147
Block first atom: 1165
Blocpdb> 8 atoms in block 148
Block first atom: 1171
Blocpdb> 4 atoms in block 149
Block first atom: 1179
Blocpdb> 4 atoms in block 150
Block first atom: 1183
Blocpdb> 8 atoms in block 151
Block first atom: 1187
Blocpdb> 8 atoms in block 152
Block first atom: 1195
Blocpdb> 11 atoms in block 153
Block first atom: 1203
Blocpdb> 11 atoms in block 154
Block first atom: 1214
Blocpdb> 7 atoms in block 155
Block first atom: 1225
Blocpdb> 8 atoms in block 156
Block first atom: 1232
Blocpdb> 8 atoms in block 157
Block first atom: 1240
Blocpdb> 7 atoms in block 158
Block first atom: 1248
Blocpdb> 8 atoms in block 159
Block first atom: 1255
Blocpdb> 8 atoms in block 160
Block first atom: 1263
Blocpdb> 7 atoms in block 161
Block first atom: 1271
Blocpdb> 8 atoms in block 162
Block first atom: 1278
Blocpdb> 9 atoms in block 163
Block first atom: 1286
Blocpdb> 8 atoms in block 164
Block first atom: 1295
Blocpdb> 6 atoms in block 165
Block first atom: 1303
Blocpdb> 6 atoms in block 166
Block first atom: 1309
Blocpdb> 4 atoms in block 167
Block first atom: 1315
Blocpdb> 8 atoms in block 168
Block first atom: 1319
Blocpdb> 8 atoms in block 169
Block first atom: 1327
Blocpdb> 8 atoms in block 170
Block first atom: 1335
Blocpdb> 4 atoms in block 171
Block first atom: 1343
Blocpdb> 11 atoms in block 172
Block first atom: 1347
Blocpdb> 8 atoms in block 173
Block first atom: 1358
Blocpdb> 6 atoms in block 174
Block first atom: 1366
Blocpdb> 11 atoms in block 175
Block first atom: 1372
Blocpdb> 9 atoms in block 176
Block first atom: 1383
Blocpdb> 7 atoms in block 177
Block first atom: 1392
Blocpdb> 11 atoms in block 178
Block first atom: 1399
Blocpdb> 7 atoms in block 179
Block first atom: 1410
Blocpdb> 6 atoms in block 180
Block first atom: 1417
Blocpdb> 5 atoms in block 181
Block first atom: 1423
Blocpdb> 9 atoms in block 182
Block first atom: 1428
Blocpdb> 7 atoms in block 183
Block first atom: 1437
Blocpdb> 4 atoms in block 184
Block first atom: 1444
Blocpdb> 11 atoms in block 185
Block first atom: 1448
Blocpdb> 8 atoms in block 186
Block first atom: 1459
Blocpdb> 11 atoms in block 187
Block first atom: 1467
Blocpdb> 11 atoms in block 188
Block first atom: 1478
Blocpdb> 7 atoms in block 189
Block first atom: 1489
Blocpdb> 9 atoms in block 190
Block first atom: 1496
Blocpdb> 9 atoms in block 191
Block first atom: 1505
Blocpdb> 9 atoms in block 192
Block first atom: 1514
Blocpdb> 8 atoms in block 193
Block first atom: 1523
Blocpdb> 8 atoms in block 194
Block first atom: 1530
Blocpdb> 194 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 563472 matrix lines read.
Prepmat> Matrix order = 4614
Prepmat> Matrix trace = 1231500.0000
Prepmat> Last element read: 4614 4614 180.8052
Prepmat> 18916 lines saved.
Prepmat> 16484 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: 1538
RTB> Total mass = 1538.0000
RTB> Number of atoms found in matrix: 1538
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 282758.5104
RTB> 84606 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 = 1164
Diagstd> Nb of non-zero elements: 84606
Diagstd> Projected matrix trace = 282758.5104
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1164 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 282758.5104
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.9806876 4.2297108 4.9403341 5.4311269
5.8017501 6.9321846 8.0440744 8.2724241 9.5068487
10.8493513 12.9159217 13.1940540 14.7988583 15.3486656
16.2903017 16.6864282 17.7453610 18.3785836 18.9350624
19.4843868 19.7940730 20.3794080 22.6665570 23.2047183
24.2565679 24.6796891 24.8559853 25.5933128 26.0273836
26.5813623 27.2701739 28.3582624 29.0100598 30.5818257
31.3991278 32.3251791 32.9583122 34.9050690 35.0864808
35.2527485 35.8877508 37.1474923 37.5944021 38.3031473
39.1486760 39.7002229 40.2913829 41.3667316 41.8497026
42.2743664 42.4665074 42.7966365 43.8239557 44.7567722
46.1106346 46.6484501 47.2066193 48.5326542 48.9829939
49.6964996 50.7288663 51.1145941 52.2862832 52.7955172
53.1655904 53.4166606 53.8456232 54.3724038 56.0503103
56.3440067 56.7911517 57.1581713 57.8720601 58.5629280
59.9841767 60.4008187 61.1684072 61.9659320 62.2031370
62.9372338 63.3199137 63.9235236 64.5235418 64.8978006
65.5372517 66.2105209 66.6918008 67.8660426 68.1086299
68.5346699 69.4745264 69.8685599 70.4859111 71.3889207
71.9560734 72.3152811 73.3816285 73.8384897 74.4782791
74.9659440
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034333 0.0034335 0.0034341 0.0034343
0.0034344 152.8281193 223.3318261 241.3645247 253.0697609
261.5620838 285.9106546 307.9876628 312.3285433 334.8216802
357.6820670 390.2635427 394.4431419 417.7431969 425.4324298
438.2882663 443.5851224 457.4437508 465.5338867 472.5292000
479.3344590 483.1287297 490.2200413 516.9970426 523.0984471
534.8228525 539.4672965 541.3906755 549.3618952 554.0009844
559.8657468 567.0733450 578.2758939 584.8837995 600.5193208
608.4908783 617.3987563 623.4157384 641.5633263 643.2283614
644.7506248 650.5316042 661.8506979 665.8200538 672.0669064
679.4442375 684.2136799 689.2890304 698.4267824 702.4921383
706.0473610 707.6500680 710.3953322 718.8711723 726.4816670
737.3875995 741.6754261 746.0994677 756.5058695 760.0076146
765.5228887 773.4332855 776.3682004 785.2160456 789.0305247
791.7910728 793.6584551 796.8388211 800.7271369 812.9882909
815.1154852 818.3434640 820.9835268 826.0945395 831.0108062
841.0341517 843.9499525 849.2955843 854.8142893 856.4488369
861.4877491 864.1028500 868.2116989 872.2769165 874.8030122
879.1022525 883.6062569 886.8118801 894.5848578 896.1822793
898.9808553 905.1239940 907.6871270 911.6884213 917.5097505
921.1471407 923.4434808 930.2270259 933.1182483 937.1521306
940.2152421
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1538
Rtb_to_modes> Number of blocs = 194
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.981
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.230
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.940
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.431
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.802
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.932
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.044
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.272
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.507
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.85
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 14.80
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 15.35
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 16.29
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.69
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.48
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.79
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.38
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 23.20
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 24.26
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 24.68
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 24.86
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 25.59
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 26.03
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 26.58
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.27
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 29.01
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 30.58
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.40
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 32.33
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 32.96
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 34.91
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.09
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 35.25
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 35.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 37.15
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.59
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 39.15
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 39.70
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 40.29
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 41.37
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 41.85
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 42.27
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 42.47
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 42.80
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 43.82
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 44.76
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 46.11
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 46.65
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 47.21
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 48.53
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 48.98
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 49.70
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 50.73
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 51.11
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 52.29
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 52.80
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 53.17
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 53.42
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 53.85
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 54.37
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 56.05
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 56.34
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 56.79
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 57.16
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 57.87
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 58.56
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 59.98
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 60.40
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 61.17
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 61.97
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 62.20
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 62.94
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 63.32
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 63.92
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 64.52
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 64.90
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 65.54
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 66.21
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 66.69
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 67.87
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 68.11
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 68.53
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 69.47
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.87
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 70.49
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 71.39
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.96
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 72.32
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 73.38
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 73.84
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 74.48
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 74.97
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 0.99998 1.00002 1.00001
1.00003 1.00000 1.00003 0.99998 1.00001
0.99998 0.99999 0.99999 1.00002 0.99999
0.99997 0.99999 1.00000 1.00003 1.00001
1.00000 0.99999 1.00001 0.99997 0.99999
1.00002 0.99998 0.99999 1.00000 1.00002
1.00002 1.00000 1.00000 1.00000 0.99999
1.00002 0.99998 0.99996 1.00001 1.00001
1.00002 1.00004 0.99999 0.99999 1.00002
0.99999 1.00001 0.99998 0.99997 1.00002
1.00000 1.00000 1.00004 1.00000 0.99999
1.00000 0.99999 1.00002 0.99998 0.99999
1.00003 0.99998 1.00000 1.00001 1.00001
0.99998 0.99999 0.99999 1.00002 1.00002
0.99999 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00002 1.00000 0.99998
1.00002 0.99999 1.00001 1.00003 1.00001
0.99999 0.99998 0.99999 1.00000 1.00000
0.99999 1.00002 1.00001 1.00001 0.99999
1.00001 0.99997 1.00000 1.00002 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 27684 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 0.99998 1.00002 1.00001
1.00003 1.00000 1.00003 0.99998 1.00001
0.99998 0.99999 0.99999 1.00002 0.99999
0.99997 0.99999 1.00000 1.00003 1.00001
1.00000 0.99999 1.00001 0.99997 0.99999
1.00002 0.99998 0.99999 1.00000 1.00002
1.00002 1.00000 1.00000 1.00000 0.99999
1.00002 0.99998 0.99996 1.00001 1.00001
1.00002 1.00004 0.99999 0.99999 1.00002
0.99999 1.00001 0.99998 0.99997 1.00002
1.00000 1.00000 1.00004 1.00000 0.99999
1.00000 0.99999 1.00002 0.99998 0.99999
1.00003 0.99998 1.00000 1.00001 1.00001
0.99998 0.99999 0.99999 1.00002 1.00002
0.99999 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00002 1.00000 0.99998
1.00002 0.99999 1.00001 1.00003 1.00001
0.99999 0.99998 0.99999 1.00000 1.00000
0.99999 1.00002 1.00001 1.00001 0.99999
1.00001 0.99997 1.00000 1.00002 0.99999
1.00002
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> 2402182157513347386.eigenfacs
Openam> file on opening on unit 10:
2402182157513347386.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402182157513347386.atom
Openam> file on opening on unit 11:
2402182157513347386.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 1538
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 23.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 24.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 24.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 24.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 25.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 26.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 26.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 28.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 29.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 30.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 32.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 32.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 34.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 35.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 35.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 37.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 39.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 39.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 40.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 41.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 41.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 42.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 42.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 42.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 43.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 44.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 46.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 46.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 47.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 48.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 48.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 49.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 50.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 51.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 52.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 52.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 53.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 53.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 53.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 54.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 56.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 56.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 56.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 57.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 57.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 58.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 59.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 60.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 61.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 61.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 62.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 62.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 63.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 63.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 64.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 64.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 65.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 66.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 66.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 67.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 68.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 68.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 69.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 70.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 71.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 72.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 73.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 73.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 74.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 74.97
Bfactors> 106 vectors, 4614 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.981000
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= 0.620 for 197 C-alpha atoms.
Bfactors> = 0.037 +/- 0.07
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= 18.860
Bfactors> Scaling-fct= 94.507
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402182157513347386 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.7.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 2402182157513347386.7.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 2402182157513347386.7.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 2402182157513347386 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.8.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 2402182157513347386.8.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 2402182157513347386.8.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 2402182157513347386 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.9.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 2402182157513347386.9.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 2402182157513347386.9.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 2402182157513347386 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.10.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 2402182157513347386.10.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 2402182157513347386.10.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 2402182157513347386 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.11.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 2402182157513347386.11.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 2402182157513347386.11.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 2402182157513347386 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.12.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 2402182157513347386.12.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 2402182157513347386.12.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 2402182157513347386 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.13.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 2402182157513347386.13.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 2402182157513347386.13.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 2402182157513347386 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.14.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 2402182157513347386.14.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 2402182157513347386.14.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 2402182157513347386 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.15.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 2402182157513347386.15.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 2402182157513347386.15.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 2402182157513347386 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=-20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=0
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=20
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=40
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=60
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=80
2402182157513347386.eigenfacs
2402182157513347386.atom
calculating perturbed structure for DQ=100
2402182157513347386.eigenfacs
2402182157513347386.atom
making animated gifs
11 models are in 2402182157513347386.16.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 2402182157513347386.16.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 2402182157513347386.16.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
2402182157513347386.10.pdb
2402182157513347386.11.pdb
2402182157513347386.12.pdb
2402182157513347386.13.pdb
2402182157513347386.14.pdb
2402182157513347386.15.pdb
2402182157513347386.16.pdb
2402182157513347386.7.pdb
2402182157513347386.8.pdb
2402182157513347386.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m21.118s
user 0m21.098s
sys 0m0.020s
../../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: 2402182157513347386.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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