*** SIGNALING PROTEIN/AGONIST 18-SEP-13 4MS3 ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 240126224158526309.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 240126224158526309.atom to be opened.
Openam> File opened: 240126224158526309.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 = 395
First residue number = 50
Last residue number = 465
Number of atoms found = 6253
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= -22.428530 +/- 16.650879 From: -61.386000 To: 23.430000
= 13.806047 +/- 9.841300 From: -11.698000 To: 40.022000
= -30.306942 +/- 10.695937 From: -54.911000 To: -3.408000
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 2.6759 % Filled.
Pdbmat> 4708559 non-zero elements.
Pdbmat> 519089 atom-atom interactions.
Pdbmat> Number per atom= 166.03 +/- 49.52
Maximum number = 249
Minimum number = 21
Pdbmat> Matrix trace = 1.038178E+07
Pdbmat> Larger element = 916.218
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
395 non-zero elements, NRBL set to 2
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 = 240126224158526309.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240126224158526309.atom to be opened.
Openam> file on opening on unit 11:
240126224158526309.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6253 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 395 residues.
Blocpdb> 48 atoms in block 1
Block first atom: 1
Blocpdb> 26 atoms in block 2
Block first atom: 49
Blocpdb> 40 atoms in block 3
Block first atom: 75
Blocpdb> 17 atoms in block 4
Block first atom: 115
Blocpdb> 39 atoms in block 5
Block first atom: 132
Blocpdb> 31 atoms in block 6
Block first atom: 171
Blocpdb> 18 atoms in block 7
Block first atom: 202
Blocpdb> 31 atoms in block 8
Block first atom: 220
Blocpdb> 21 atoms in block 9
Block first atom: 251
Blocpdb> 24 atoms in block 10
Block first atom: 272
Blocpdb> 21 atoms in block 11
Block first atom: 296
Blocpdb> 31 atoms in block 12
Block first atom: 317
Blocpdb> 26 atoms in block 13
Block first atom: 348
Blocpdb> 32 atoms in block 14
Block first atom: 374
Blocpdb> 29 atoms in block 15
Block first atom: 406
Blocpdb> 27 atoms in block 16
Block first atom: 435
Blocpdb> 30 atoms in block 17
Block first atom: 462
Blocpdb> 11 atoms in block 18
Block first atom: 492
Blocpdb> 36 atoms in block 19
Block first atom: 503
Blocpdb> 41 atoms in block 20
Block first atom: 539
Blocpdb> 38 atoms in block 21
Block first atom: 580
Blocpdb> 36 atoms in block 22
Block first atom: 618
Blocpdb> 23 atoms in block 23
Block first atom: 654
Blocpdb> 32 atoms in block 24
Block first atom: 677
Blocpdb> 26 atoms in block 25
Block first atom: 709
Blocpdb> 24 atoms in block 26
Block first atom: 735
Blocpdb> 24 atoms in block 27
Block first atom: 759
Blocpdb> 43 atoms in block 28
Block first atom: 783
Blocpdb> 40 atoms in block 29
Block first atom: 826
Blocpdb> 34 atoms in block 30
Block first atom: 866
Blocpdb> 40 atoms in block 31
Block first atom: 900
Blocpdb> 26 atoms in block 32
Block first atom: 940
Blocpdb> 33 atoms in block 33
Block first atom: 966
Blocpdb> 41 atoms in block 34
Block first atom: 999
Blocpdb> 38 atoms in block 35
Block first atom: 1040
Blocpdb> 31 atoms in block 36
Block first atom: 1078
Blocpdb> 17 atoms in block 37
Block first atom: 1109
Blocpdb> 22 atoms in block 38
Block first atom: 1126
Blocpdb> 27 atoms in block 39
Block first atom: 1148
Blocpdb> 33 atoms in block 40
Block first atom: 1175
Blocpdb> 26 atoms in block 41
Block first atom: 1208
Blocpdb> 25 atoms in block 42
Block first atom: 1234
Blocpdb> 34 atoms in block 43
Block first atom: 1259
Blocpdb> 41 atoms in block 44
Block first atom: 1293
Blocpdb> 33 atoms in block 45
Block first atom: 1334
Blocpdb> 35 atoms in block 46
Block first atom: 1367
Blocpdb> 30 atoms in block 47
Block first atom: 1402
Blocpdb> 28 atoms in block 48
Block first atom: 1432
Blocpdb> 22 atoms in block 49
Block first atom: 1460
Blocpdb> 25 atoms in block 50
Block first atom: 1482
Blocpdb> 29 atoms in block 51
Block first atom: 1507
Blocpdb> 25 atoms in block 52
Block first atom: 1536
Blocpdb> 41 atoms in block 53
Block first atom: 1561
Blocpdb> 44 atoms in block 54
Block first atom: 1602
Blocpdb> 28 atoms in block 55
Block first atom: 1646
Blocpdb> 40 atoms in block 56
Block first atom: 1674
Blocpdb> 38 atoms in block 57
Block first atom: 1714
Blocpdb> 32 atoms in block 58
Block first atom: 1752
Blocpdb> 21 atoms in block 59
Block first atom: 1784
Blocpdb> 33 atoms in block 60
Block first atom: 1805
Blocpdb> 32 atoms in block 61
Block first atom: 1838
Blocpdb> 28 atoms in block 62
Block first atom: 1870
Blocpdb> 40 atoms in block 63
Block first atom: 1898
Blocpdb> 41 atoms in block 64
Block first atom: 1938
Blocpdb> 35 atoms in block 65
Block first atom: 1979
Blocpdb> 46 atoms in block 66
Block first atom: 2014
Blocpdb> 31 atoms in block 67
Block first atom: 2060
Blocpdb> 44 atoms in block 68
Block first atom: 2091
Blocpdb> 29 atoms in block 69
Block first atom: 2135
Blocpdb> 33 atoms in block 70
Block first atom: 2164
Blocpdb> 34 atoms in block 71
Block first atom: 2197
Blocpdb> 28 atoms in block 72
Block first atom: 2231
Blocpdb> 31 atoms in block 73
Block first atom: 2259
Blocpdb> 34 atoms in block 74
Block first atom: 2290
Blocpdb> 25 atoms in block 75
Block first atom: 2324
Blocpdb> 31 atoms in block 76
Block first atom: 2349
Blocpdb> 31 atoms in block 77
Block first atom: 2380
Blocpdb> 30 atoms in block 78
Block first atom: 2411
Blocpdb> 40 atoms in block 79
Block first atom: 2441
Blocpdb> 37 atoms in block 80
Block first atom: 2481
Blocpdb> 17 atoms in block 81
Block first atom: 2518
Blocpdb> 34 atoms in block 82
Block first atom: 2535
Blocpdb> 33 atoms in block 83
Block first atom: 2569
Blocpdb> 44 atoms in block 84
Block first atom: 2602
Blocpdb> 28 atoms in block 85
Block first atom: 2646
Blocpdb> 40 atoms in block 86
Block first atom: 2674
Blocpdb> 23 atoms in block 87
Block first atom: 2714
Blocpdb> 24 atoms in block 88
Block first atom: 2737
Blocpdb> 30 atoms in block 89
Block first atom: 2761
Blocpdb> 38 atoms in block 90
Block first atom: 2791
Blocpdb> 33 atoms in block 91
Block first atom: 2829
Blocpdb> 46 atoms in block 92
Block first atom: 2862
Blocpdb> 29 atoms in block 93
Block first atom: 2908
Blocpdb> 34 atoms in block 94
Block first atom: 2937
Blocpdb> 38 atoms in block 95
Block first atom: 2971
Blocpdb> 23 atoms in block 96
Block first atom: 3009
Blocpdb> 39 atoms in block 97
Block first atom: 3032
Blocpdb> 36 atoms in block 98
Block first atom: 3071
Blocpdb> 29 atoms in block 99
Block first atom: 3107
Blocpdb> 34 atoms in block 100
Block first atom: 3136
Blocpdb> 38 atoms in block 101
Block first atom: 3170
Blocpdb> 30 atoms in block 102
Block first atom: 3208
Blocpdb> 31 atoms in block 103
Block first atom: 3238
Blocpdb> 43 atoms in block 104
Block first atom: 3269
Blocpdb> 39 atoms in block 105
Block first atom: 3312
Blocpdb> 39 atoms in block 106
Block first atom: 3351
Blocpdb> 29 atoms in block 107
Block first atom: 3390
Blocpdb> 43 atoms in block 108
Block first atom: 3419
Blocpdb> 40 atoms in block 109
Block first atom: 3462
Blocpdb> 39 atoms in block 110
Block first atom: 3502
Blocpdb> 26 atoms in block 111
Block first atom: 3541
Blocpdb> 45 atoms in block 112
Block first atom: 3567
Blocpdb> 22 atoms in block 113
Block first atom: 3612
Blocpdb> 38 atoms in block 114
Block first atom: 3634
Blocpdb> 42 atoms in block 115
Block first atom: 3672
Blocpdb> 40 atoms in block 116
Block first atom: 3714
Blocpdb> 26 atoms in block 117
Block first atom: 3754
Blocpdb> 30 atoms in block 118
Block first atom: 3780
Blocpdb> 24 atoms in block 119
Block first atom: 3810
Blocpdb> 30 atoms in block 120
Block first atom: 3834
Blocpdb> 27 atoms in block 121
Block first atom: 3864
Blocpdb> 31 atoms in block 122
Block first atom: 3891
Blocpdb> 25 atoms in block 123
Block first atom: 3922
Blocpdb> 31 atoms in block 124
Block first atom: 3947
Blocpdb> 25 atoms in block 125
Block first atom: 3978
Blocpdb> 33 atoms in block 126
Block first atom: 4003
Blocpdb> 29 atoms in block 127
Block first atom: 4036
Blocpdb> 35 atoms in block 128
Block first atom: 4065
Blocpdb> 36 atoms in block 129
Block first atom: 4100
Blocpdb> 28 atoms in block 130
Block first atom: 4136
Blocpdb> 24 atoms in block 131
Block first atom: 4164
Blocpdb> 38 atoms in block 132
Block first atom: 4188
Blocpdb> 30 atoms in block 133
Block first atom: 4226
Blocpdb> 25 atoms in block 134
Block first atom: 4256
Blocpdb> 31 atoms in block 135
Block first atom: 4281
Blocpdb> 28 atoms in block 136
Block first atom: 4312
Blocpdb> 35 atoms in block 137
Block first atom: 4340
Blocpdb> 31 atoms in block 138
Block first atom: 4375
Blocpdb> 41 atoms in block 139
Block first atom: 4406
Blocpdb> 36 atoms in block 140
Block first atom: 4447
Blocpdb> 43 atoms in block 141
Block first atom: 4483
Blocpdb> 21 atoms in block 142
Block first atom: 4526
Blocpdb> 27 atoms in block 143
Block first atom: 4547
Blocpdb> 32 atoms in block 144
Block first atom: 4574
Blocpdb> 24 atoms in block 145
Block first atom: 4606
Blocpdb> 29 atoms in block 146
Block first atom: 4630
Blocpdb> 33 atoms in block 147
Block first atom: 4659
Blocpdb> 29 atoms in block 148
Block first atom: 4692
Blocpdb> 34 atoms in block 149
Block first atom: 4721
Blocpdb> 29 atoms in block 150
Block first atom: 4755
Blocpdb> 29 atoms in block 151
Block first atom: 4784
Blocpdb> 33 atoms in block 152
Block first atom: 4813
Blocpdb> 36 atoms in block 153
Block first atom: 4846
Blocpdb> 11 atoms in block 154
Block first atom: 4882
Blocpdb> 43 atoms in block 155
Block first atom: 4893
Blocpdb> 27 atoms in block 156
Block first atom: 4936
Blocpdb> 34 atoms in block 157
Block first atom: 4963
Blocpdb> 35 atoms in block 158
Block first atom: 4997
Blocpdb> 31 atoms in block 159
Block first atom: 5032
Blocpdb> 33 atoms in block 160
Block first atom: 5063
Blocpdb> 26 atoms in block 161
Block first atom: 5096
Blocpdb> 36 atoms in block 162
Block first atom: 5122
Blocpdb> 45 atoms in block 163
Block first atom: 5158
Blocpdb> 27 atoms in block 164
Block first atom: 5203
Blocpdb> 25 atoms in block 165
Block first atom: 5230
Blocpdb> 22 atoms in block 166
Block first atom: 5255
Blocpdb> 35 atoms in block 167
Block first atom: 5277
Blocpdb> 23 atoms in block 168
Block first atom: 5312
Blocpdb> 18 atoms in block 169
Block first atom: 5335
Blocpdb> 34 atoms in block 170
Block first atom: 5353
Blocpdb> 36 atoms in block 171
Block first atom: 5387
Blocpdb> 22 atoms in block 172
Block first atom: 5423
Blocpdb> 18 atoms in block 173
Block first atom: 5445
Blocpdb> 35 atoms in block 174
Block first atom: 5463
Blocpdb> 27 atoms in block 175
Block first atom: 5498
Blocpdb> 38 atoms in block 176
Block first atom: 5525
Blocpdb> 38 atoms in block 177
Block first atom: 5563
Blocpdb> 32 atoms in block 178
Block first atom: 5601
Blocpdb> 36 atoms in block 179
Block first atom: 5633
Blocpdb> 14 atoms in block 180
Block first atom: 5669
Blocpdb> 32 atoms in block 181
Block first atom: 5683
Blocpdb> 44 atoms in block 182
Block first atom: 5715
Blocpdb> 26 atoms in block 183
Block first atom: 5759
Blocpdb> 42 atoms in block 184
Block first atom: 5785
Blocpdb> 23 atoms in block 185
Block first atom: 5827
Blocpdb> 36 atoms in block 186
Block first atom: 5850
Blocpdb> 24 atoms in block 187
Block first atom: 5886
Blocpdb> 30 atoms in block 188
Block first atom: 5910
Blocpdb> 35 atoms in block 189
Block first atom: 5940
Blocpdb> 36 atoms in block 190
Block first atom: 5975
Blocpdb> 34 atoms in block 191
Block first atom: 6011
Blocpdb> 43 atoms in block 192
Block first atom: 6045
Blocpdb> 14 atoms in block 193
Block first atom: 6088
Blocpdb> 25 atoms in block 194
Block first atom: 6102
Blocpdb> 24 atoms in block 195
Block first atom: 6127
Blocpdb> 24 atoms in block 196
Block first atom: 6151
Blocpdb> 43 atoms in block 197
Block first atom: 6175
Blocpdb> 24 atoms in block 198
Block first atom: 6218
Blocpdb> 12 atoms in block 199
Block first atom: 6241
Blocpdb> 199 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 11 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> 4708758 matrix lines read.
Prepmat> Matrix order = 18759
Prepmat> Matrix trace = 10381780.0000
Prepmat> Last element read: 18759 18759 111.1859
Prepmat> 19901 lines saved.
Prepmat> 17196 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: 6253
RTB> Total mass = 6253.0000
RTB> Number of atoms found in matrix: 6253
RTB> Number of blocks = 199
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 563316.3118
RTB> 94359 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 = 1194
Diagstd> Nb of non-zero elements: 94359
Diagstd> Projected matrix trace = 563316.3118
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1194 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 563316.3118
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 2.0461973 3.3273099 4.0639351 4.7316920
7.0309017 12.0021650 12.4316358 14.8120569 15.8180542
21.9491572 23.8441914 24.0371746 24.6644785 25.5292510
28.8510898 30.1407171 32.0575637 33.6922511 35.1499963
37.5384746 39.1152681 41.7095778 43.4471424 43.7362485
48.0509857 48.7384447 49.0497530 50.5221975 50.6756076
52.4740894 54.4586292 55.4756949 56.1160695 57.6616066
58.6961903 60.5162602 61.2475157 61.8697757 63.0824869
65.0693085 65.7850556 66.7964762 67.8749259 68.7377989
69.2781296 71.4291276 72.6085785 73.5154047 75.8914972
76.7269004 77.6106025 79.6296480 80.8307330 81.1867106
82.3612212 83.4342575 86.0842893 87.6328624 88.8620585
89.6420716 91.5772363 92.9717165 93.9606464 94.5263047
98.5031958 99.8397593 100.1191908 100.7478266 102.9542004
103.3270827 104.0854143 106.0423783 106.3958262 107.0102105
107.4489325 108.6531908 111.4376954 112.1222109 112.4827872
114.5230860 116.2342560 117.6402049 118.8800065 119.4826961
120.3032284 121.1902823 121.9308329 123.7495091 124.1361734
126.0875283 126.3321030 128.2751923 128.8745100 130.7129723
131.1007830 132.3244214 133.6611764 135.4458796 136.6719947
138.1415290
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034326 0.0034334 0.0034335 0.0034335
0.0034361 155.3348959 198.0805833 218.9115426 236.2128476
287.9392003 376.2054444 382.8771247 417.9294414 431.8886682
508.7497448 530.2572070 532.3987042 539.3010293 548.6739197
583.2790686 596.1726804 614.8377680 630.3188494 643.8103020
665.3246141 679.1542703 701.3150799 715.7739504 718.1514549
752.7424893 758.1080589 760.5253462 771.8561992 773.0271769
786.6249836 801.3617942 808.8102672 813.4650575 824.5911123
831.9557687 844.7560698 849.8445995 854.1507981 862.4812912
875.9581872 880.7626779 887.5075503 894.6434047 900.3121082
903.8437458 917.7680892 925.3142437 931.0745517 946.0015343
951.1940111 956.6560179 969.0198603 976.3005611 978.4480075
985.5000918 991.8990699 1007.5282436 1016.5500804 1023.6546531
1028.1375536 1039.1758534 1047.0579171 1052.6119065 1055.7755991
1077.7559786 1085.0432333 1086.5605816 1089.9664328 1101.8369066
1103.8304348 1107.8736111 1118.2399664 1120.1020083 1123.3313762
1125.6317457 1131.9220566 1146.3344425 1149.8497804 1151.6972104
1162.0954518 1170.7451039 1177.8043836 1183.9945149 1186.9919871
1191.0607720 1195.4438410 1199.0907437 1208.0002458 1209.8860161
1219.3583201 1220.5403551 1229.8909829 1232.7607370 1241.5225879
1243.3629528 1249.1519840 1255.4456605 1263.7995001 1269.5068444
1276.3136371
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6253
Rtb_to_modes> Number of blocs = 199
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: 9.9861E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9920E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.046
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.327
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.064
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.732
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.031
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 15.82
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 21.95
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 23.84
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 24.04
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 24.66
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 28.85
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 32.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 33.69
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 35.15
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 37.54
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 39.12
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 41.71
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 43.74
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 48.05
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 48.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 49.05
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 50.52
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 50.68
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 52.47
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 54.46
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 55.48
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 57.66
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 58.70
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 60.52
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 61.25
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 61.87
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 63.08
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 65.07
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 65.79
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 66.80
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 67.87
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 68.74
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 69.28
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 71.43
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 72.61
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 73.52
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 75.89
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 76.73
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 77.61
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 79.63
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 80.83
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 81.19
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 82.36
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 83.43
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 86.08
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 87.63
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 88.86
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 89.64
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 91.58
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 92.97
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 93.96
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 94.53
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 98.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 99.84
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 100.1
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 100.7
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 104.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 106.0
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 106.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 107.0
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 107.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 108.7
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 112.5
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 114.5
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 117.6
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 118.9
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 119.5
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 120.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 121.2
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 121.9
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 123.7
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 124.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 126.1
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 126.3
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 128.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 128.9
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 130.7
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 132.3
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 133.7
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 135.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 136.7
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 138.1
Rtb_to_modes> 106 vectors, with 1194 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 0.99998 1.00001 0.99999
1.00000 0.99997 1.00001 1.00000 0.99999
0.99999 0.99999 1.00002 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 1.00002
0.99999 1.00000 0.99998 1.00000 1.00001
1.00001 1.00000 1.00000 0.99997 1.00000
1.00000 1.00000 1.00001 0.99997 1.00001
1.00000 0.99999 0.99999 0.99999 1.00000
0.99999 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 0.99998 0.99998 0.99997
0.99998 0.99999 0.99999 0.99998 1.00001
1.00000 1.00001 1.00001 1.00002 1.00001
1.00002 1.00002 1.00000 1.00004 0.99997
1.00001 0.99999 0.99998 1.00001 1.00001
1.00000 0.99998 1.00001 1.00004 1.00001
1.00000 1.00001 0.99999 1.00002 0.99997
1.00000 1.00002 0.99999 1.00000 0.99999
0.99997 1.00001 1.00001 1.00000 1.00002
1.00000 0.99997 1.00000 0.99999 1.00002
0.99999 1.00000 0.99999 0.99998 1.00003
1.00001 1.00000 1.00001 1.00001 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 112554 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 0.99998 1.00001 0.99999
1.00000 0.99997 1.00001 1.00000 0.99999
0.99999 0.99999 1.00002 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 1.00002
0.99999 1.00000 0.99998 1.00000 1.00001
1.00001 1.00000 1.00000 0.99997 1.00000
1.00000 1.00000 1.00001 0.99997 1.00001
1.00000 0.99999 0.99999 0.99999 1.00000
0.99999 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 0.99998 0.99998 0.99997
0.99998 0.99999 0.99999 0.99998 1.00001
1.00000 1.00001 1.00001 1.00002 1.00001
1.00002 1.00002 1.00000 1.00004 0.99997
1.00001 0.99999 0.99998 1.00001 1.00001
1.00000 0.99998 1.00001 1.00004 1.00001
1.00000 1.00001 0.99999 1.00002 0.99997
1.00000 1.00002 0.99999 1.00000 0.99999
0.99997 1.00001 1.00001 1.00000 1.00002
1.00000 0.99997 1.00000 0.99999 1.00002
0.99999 1.00000 0.99999 0.99998 1.00003
1.00001 1.00000 1.00001 1.00001 1.00002
0.99998
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> 240126224158526309.eigenfacs
Openam> file on opening on unit 10:
240126224158526309.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240126224158526309.atom
Openam> file on opening on unit 11:
240126224158526309.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 = 395
First residue number = 50
Last residue number = 465
Number of atoms found = 6253
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9861E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9920E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 21.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 23.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 24.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 24.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 28.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 32.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 33.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 35.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 37.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 39.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 41.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 43.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 48.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 48.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 49.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 50.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 50.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 52.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 54.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 55.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 57.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 58.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 60.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 61.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 61.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 63.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 65.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 65.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 67.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 68.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 69.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 71.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 72.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 73.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 75.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 76.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 77.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 79.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 80.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 81.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 82.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 83.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 86.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 87.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 88.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 89.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 91.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 92.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 93.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 94.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 98.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 99.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 100.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 100.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 104.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 106.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 106.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 107.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 107.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 108.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 112.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 114.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 117.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 118.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 119.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 120.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 121.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 121.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 123.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 124.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 126.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 126.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 128.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 128.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 130.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 132.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 133.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 135.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 136.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 138.1
Bfactors> 106 vectors, 18759 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 : 2.046000
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= 0.117 for 395 C-alpha atoms.
Bfactors> = 0.007 +/- 0.03
Bfactors> = 39.367 +/- 15.98
Bfactors> Shiftng-fct= 39.360
Bfactors> Scaling-fct= 578.401
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240126224158526309 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=0
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=100
240126224158526309.eigenfacs
240126224158526309.atom
making animated gifs
11 models are in 240126224158526309.7.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 240126224158526309.7.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 240126224158526309.7.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 240126224158526309 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=0
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=100
240126224158526309.eigenfacs
240126224158526309.atom
making animated gifs
11 models are in 240126224158526309.8.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 240126224158526309.8.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 240126224158526309.8.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 240126224158526309 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=0
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=100
240126224158526309.eigenfacs
240126224158526309.atom
making animated gifs
11 models are in 240126224158526309.9.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 240126224158526309.9.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 240126224158526309.9.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 240126224158526309 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=0
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=100
240126224158526309.eigenfacs
240126224158526309.atom
making animated gifs
11 models are in 240126224158526309.10.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 240126224158526309.10.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 240126224158526309.10.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 240126224158526309 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=-20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=0
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=20
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=40
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=60
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=80
240126224158526309.eigenfacs
240126224158526309.atom
calculating perturbed structure for DQ=100
240126224158526309.eigenfacs
240126224158526309.atom
making animated gifs
11 models are in 240126224158526309.11.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 240126224158526309.11.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 240126224158526309.11.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
240126224158526309.10.pdb
240126224158526309.11.pdb
240126224158526309.7.pdb
240126224158526309.8.pdb
240126224158526309.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m37.228s
user 0m37.071s
sys 0m0.156s
../../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: 240126224158526309.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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