*** ***
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 = 2402181556423325144.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2402181556423325144.atom to be opened.
Openam> File opened: 2402181556423325144.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 9.2331 % Filled.
Pdbmat> 983029 non-zero elements.
Pdbmat> 108219 atom-atom interactions.
Pdbmat> Number per atom= 140.73 +/- 45.55
Maximum number = 235
Minimum number = 32
Pdbmat> Matrix trace = 2.164380E+06
Pdbmat> Larger element = 842.985
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 = 2402181556423325144.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 2402181556423325144.atom to be opened.
Openam> file on opening on unit 11:
2402181556423325144.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> 983223 matrix lines read.
Prepmat> Matrix order = 4614
Prepmat> Matrix trace = 2164380.0000
Prepmat> Last element read: 4614 4614 253.5921
Prepmat> 18916 lines saved.
Prepmat> 15403 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 = 515095.8005
RTB> 123522 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: 123522
Diagstd> Projected matrix trace = 515095.8005
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 = 515095.8005
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 7.9454518 12.0866368 13.4914925 14.7542309
15.7929079 20.7283130 21.8985050 23.9751706 25.7155797
31.1484985 32.4420421 34.5226560 37.9716716 42.9110586
43.9562902 45.6787469 48.2028317 48.9433820 50.9514279
52.3336404 54.4464966 57.0638900 59.5178741 61.3852251
61.8768630 62.3538165 64.9201383 67.5809565 68.6960547
70.2019708 70.2412592 70.9181485 71.2509502 72.6467308
73.7680191 74.2813969 76.0008806 79.3004812 83.5764747
83.9055167 86.3505088 87.0641217 87.7923358 89.2113560
90.5089736 91.8861088 93.8440992 94.1635300 95.0882621
97.0481828 99.2796303 100.0607096 102.2034630 103.3938351
104.2914488 105.8941433 109.6298357 110.2373245 112.4193295
113.1687111 114.4338250 115.1357311 117.3093457 117.8315728
120.4919367 120.8535762 122.5006051 125.4259168 125.8592851
127.8354177 130.7655928 131.8296926 132.6848020 134.2367741
135.7006333 136.1621760 137.1611889 137.7290770 138.9252523
140.7582943 141.0378469 141.7673234 144.3086832 145.6776103
147.9959262 150.1119372 151.9868802 152.2441209 153.5814681
155.1893452 155.9215801 156.6973828 158.1177158 158.8639558
160.1932126 161.9524833 164.1568239 164.8618187 165.7290085
166.1011264
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034318 0.0034327 0.0034345 0.0034353
0.0034353 306.0938315 377.5269990 398.8644028 417.1128490
431.5452415 494.3986302 508.1623840 531.7115973 550.6725642
606.0575118 618.5137687 638.0392280 669.1525513 711.3443635
719.9557359 733.9261652 753.9309222 759.7002479 775.1280619
785.5715616 801.2725227 820.3061496 837.7587751 850.7994618
854.1997187 857.4855307 874.9535520 892.7039316 900.0386882
909.8502787 910.1048410 914.4795005 916.6227049 925.5573156
932.6728634 935.9126374 946.6830305 967.0149576 992.7440769
994.6963824 1009.0849542 1013.2459859 1017.4746135 1025.6645625
1033.0969994 1040.9268486 1051.9588827 1053.7477146 1058.9092332
1069.7664766 1081.9952544 1086.2431971 1097.8122837 1104.1869307
1108.9695732 1117.4581076 1136.9978983 1140.1437540 1151.3722966
1155.2034177 1161.6424863 1165.1996400 1176.1469493 1178.7619744
1191.9945581 1193.7820196 1201.8891021 1216.1549797 1218.2541809
1227.7809130 1241.7724597 1246.8146596 1250.8518368 1258.1459783
1264.9874520 1267.1368526 1271.7768071 1274.4068548 1279.9289947
1288.3453017 1289.6240242 1292.9548220 1304.4922765 1310.6649469
1321.0527540 1330.4632870 1338.7464449 1339.8788926 1345.7509269
1352.7770618 1355.9647320 1359.3339121 1365.4806371 1368.6990521
1374.4132576 1381.9396771 1391.3127042 1394.2970980 1397.9593603
1399.5279268
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: 9.9872E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9872E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9927E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.945
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 13.49
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 21.90
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 23.98
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 25.72
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 32.44
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 34.52
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 42.91
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 43.96
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 48.20
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 48.94
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 50.95
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 52.33
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 54.45
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 57.06
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 59.52
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 61.39
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 61.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 62.35
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 64.92
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 67.58
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 68.70
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 70.20
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 70.24
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 70.92
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 71.25
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 72.65
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 73.77
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 74.28
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 76.00
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 79.30
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 83.58
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 83.91
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 86.35
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 87.06
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 87.79
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 89.21
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 90.51
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 91.89
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 93.84
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 94.16
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 95.09
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 97.05
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 99.28
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 100.1
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 102.2
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 103.4
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 109.6
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 112.4
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 113.2
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 114.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 115.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 117.8
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 120.9
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 122.5
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 125.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 125.9
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 127.8
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 130.8
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 131.8
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 132.7
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 134.2
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 135.7
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 136.2
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 137.2
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 137.7
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 138.9
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 140.8
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 141.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 141.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 144.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 145.7
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 148.0
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 150.1
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 152.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 152.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 153.6
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 155.2
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 155.9
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 156.7
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 158.1
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 158.9
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 160.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 162.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 164.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 164.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 165.7
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 166.1
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 0.99996 1.00005 1.00001 0.99999
0.99999 0.99999 0.99999 1.00001 1.00004
1.00000 1.00003 0.99998 1.00000 1.00000
0.99999 1.00000 1.00001 1.00000 0.99999
0.99997 1.00001 1.00001 0.99994 0.99999
0.99999 0.99998 1.00001 0.99999 1.00000
0.99998 0.99999 0.99999 0.99997 1.00000
1.00001 0.99998 1.00002 1.00000 0.99997
1.00003 1.00000 0.99998 1.00000 1.00000
1.00001 0.99999 1.00000 0.99998 1.00002
1.00001 0.99999 0.99998 1.00001 0.99999
0.99997 1.00000 0.99999 1.00002 1.00005
0.99998 0.99996 1.00004 1.00000 0.99999
1.00001 1.00001 0.99997 0.99999 0.99998
0.99997 0.99999 0.99998 0.99999 0.99999
1.00000 0.99995 0.99998 0.99997 1.00000
1.00002 0.99998 1.00000 1.00000 0.99999
1.00002 1.00004 1.00000 0.99998 1.00001
0.99998 0.99999 0.99999 1.00000 1.00001
0.99997 0.99999 1.00000 1.00000 1.00000
1.00003
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):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 0.99996 1.00005 1.00001 0.99999
0.99999 0.99999 0.99999 1.00001 1.00004
1.00000 1.00003 0.99998 1.00000 1.00000
0.99999 1.00000 1.00001 1.00000 0.99999
0.99997 1.00001 1.00001 0.99994 0.99999
0.99999 0.99998 1.00001 0.99999 1.00000
0.99998 0.99999 0.99999 0.99997 1.00000
1.00001 0.99998 1.00002 1.00000 0.99997
1.00003 1.00000 0.99998 1.00000 1.00000
1.00001 0.99999 1.00000 0.99998 1.00002
1.00001 0.99999 0.99998 1.00001 0.99999
0.99997 1.00000 0.99999 1.00002 1.00005
0.99998 0.99996 1.00004 1.00000 0.99999
1.00001 1.00001 0.99997 0.99999 0.99998
0.99997 0.99999 0.99998 0.99999 0.99999
1.00000 0.99995 0.99998 0.99997 1.00000
1.00002 0.99998 1.00000 1.00000 0.99999
1.00002 1.00004 1.00000 0.99998 1.00001
0.99998 0.99999 0.99999 1.00000 1.00001
0.99997 0.99999 1.00000 1.00000 1.00000
1.00003
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> 2402181556423325144.eigenfacs
Openam> file on opening on unit 10:
2402181556423325144.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402181556423325144.atom
Openam> file on opening on unit 11:
2402181556423325144.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: 9.9872E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9872E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9927E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 13.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 21.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 23.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 25.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 32.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 34.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 42.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 43.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 48.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 48.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 50.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 52.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 54.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 57.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 59.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 61.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 61.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 62.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 64.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 67.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 68.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 70.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 70.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 70.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 71.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 72.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 73.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 74.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 76.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 79.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 83.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 83.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 86.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 87.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 87.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 89.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 90.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 91.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 93.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 94.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 95.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 97.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 99.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 100.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 102.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 109.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 112.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 113.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 114.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 115.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 117.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 120.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 122.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 125.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 125.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 127.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 130.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 131.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 132.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 134.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 135.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 136.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 137.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 137.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 138.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 140.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 141.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 141.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 144.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 145.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 148.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 152.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 152.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 153.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 155.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 155.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 156.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 158.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 158.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 160.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 162.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 164.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 164.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 166.1
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 : 7.945000
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= 0.583 for 197 C-alpha atoms.
Bfactors> = 0.013 +/- 0.03
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= 18.883
Bfactors> Scaling-fct= 220.902
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402181556423325144 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.7.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 2402181556423325144.7.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 2402181556423325144.7.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 2402181556423325144 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.8.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 2402181556423325144.8.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 2402181556423325144.8.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 2402181556423325144 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.9.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 2402181556423325144.9.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 2402181556423325144.9.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 2402181556423325144 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.10.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 2402181556423325144.10.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 2402181556423325144.10.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 2402181556423325144 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.11.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 2402181556423325144.11.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 2402181556423325144.11.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 2402181556423325144 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.12.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 2402181556423325144.12.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 2402181556423325144.12.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 2402181556423325144 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.13.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 2402181556423325144.13.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 2402181556423325144.13.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 2402181556423325144 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.14.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 2402181556423325144.14.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 2402181556423325144.14.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 2402181556423325144 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.15.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 2402181556423325144.15.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 2402181556423325144.15.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 2402181556423325144 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=-20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=0
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=20
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=40
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=60
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=80
2402181556423325144.eigenfacs
2402181556423325144.atom
calculating perturbed structure for DQ=100
2402181556423325144.eigenfacs
2402181556423325144.atom
making animated gifs
11 models are in 2402181556423325144.16.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 2402181556423325144.16.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 2402181556423325144.16.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
2402181556423325144.10.pdb
2402181556423325144.11.pdb
2402181556423325144.12.pdb
2402181556423325144.13.pdb
2402181556423325144.14.pdb
2402181556423325144.15.pdb
2402181556423325144.16.pdb
2402181556423325144.7.pdb
2402181556423325144.8.pdb
2402181556423325144.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m21.530s
user 0m21.477s
sys 0m0.036s
../../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: 2402181556423325144.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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