*** 6zmr_csub ***
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 = 240323191618276522.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 240323191618276522.atom to be opened.
Openam> File opened: 240323191618276522.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 = 589
First residue number = 1
Last residue number = 75
Number of atoms found = 8469
Mean number per residue = 14.4
Pdbmat> Coordinate statistics:
= 201.470879 +/- 11.517156 From: 172.690000 To: 228.590000
= 126.822133 +/- 15.699147 From: 91.002000 To: 162.582000
= 214.475165 +/- 13.282929 From: 181.786000 To: 244.633000
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 1.9549 % Filled.
Pdbmat> 6309772 non-zero elements.
Pdbmat> 695557 atom-atom interactions.
Pdbmat> Number per atom= 164.26 +/- 40.41
Maximum number = 241
Minimum number = 30
Pdbmat> Matrix trace = 1.391114E+07
Pdbmat> Larger element = 874.162
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
589 non-zero elements, NRBL set to 3
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 = 240323191618276522.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 240323191618276522.atom to be opened.
Openam> file on opening on unit 11:
240323191618276522.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8469 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 589 residues.
Blocpdb> 45 atoms in block 1
Block first atom: 1
Blocpdb> 34 atoms in block 2
Block first atom: 46
Blocpdb> 61 atoms in block 3
Block first atom: 80
Blocpdb> 24 atoms in block 4
Block first atom: 141
Blocpdb> 34 atoms in block 5
Block first atom: 165
Blocpdb> 39 atoms in block 6
Block first atom: 199
Blocpdb> 28 atoms in block 7
Block first atom: 238
Blocpdb> 24 atoms in block 8
Block first atom: 266
Blocpdb> 40 atoms in block 9
Block first atom: 290
Blocpdb> 43 atoms in block 10
Block first atom: 330
Blocpdb> 49 atoms in block 11
Block first atom: 373
Blocpdb> 47 atoms in block 12
Block first atom: 422
Blocpdb> 48 atoms in block 13
Block first atom: 469
Blocpdb> 44 atoms in block 14
Block first atom: 517
Blocpdb> 53 atoms in block 15
Block first atom: 561
Blocpdb> 52 atoms in block 16
Block first atom: 614
Blocpdb> 48 atoms in block 17
Block first atom: 666
Blocpdb> 37 atoms in block 18
Block first atom: 714
Blocpdb> 45 atoms in block 19
Block first atom: 751
Blocpdb> 34 atoms in block 20
Block first atom: 796
Blocpdb> 50 atoms in block 21
Block first atom: 830
Blocpdb> 52 atoms in block 22
Block first atom: 880
Blocpdb> 49 atoms in block 23
Block first atom: 932
Blocpdb> 58 atoms in block 24
Block first atom: 981
Blocpdb> 10 atoms in block 25
Block first atom: 1039
Blocpdb> 45 atoms in block 26
Block first atom: 1049
Blocpdb> 34 atoms in block 27
Block first atom: 1094
Blocpdb> 61 atoms in block 28
Block first atom: 1128
Blocpdb> 24 atoms in block 29
Block first atom: 1189
Blocpdb> 34 atoms in block 30
Block first atom: 1213
Blocpdb> 39 atoms in block 31
Block first atom: 1247
Blocpdb> 28 atoms in block 32
Block first atom: 1286
Blocpdb> 24 atoms in block 33
Block first atom: 1314
Blocpdb> 40 atoms in block 34
Block first atom: 1338
Blocpdb> 43 atoms in block 35
Block first atom: 1378
Blocpdb> 49 atoms in block 36
Block first atom: 1421
Blocpdb> 47 atoms in block 37
Block first atom: 1470
Blocpdb> 48 atoms in block 38
Block first atom: 1517
Blocpdb> 44 atoms in block 39
Block first atom: 1565
Blocpdb> 53 atoms in block 40
Block first atom: 1609
Blocpdb> 52 atoms in block 41
Block first atom: 1662
Blocpdb> 48 atoms in block 42
Block first atom: 1714
Blocpdb> 37 atoms in block 43
Block first atom: 1762
Blocpdb> 45 atoms in block 44
Block first atom: 1799
Blocpdb> 34 atoms in block 45
Block first atom: 1844
Blocpdb> 50 atoms in block 46
Block first atom: 1878
Blocpdb> 52 atoms in block 47
Block first atom: 1928
Blocpdb> 49 atoms in block 48
Block first atom: 1980
Blocpdb> 58 atoms in block 49
Block first atom: 2029
Blocpdb> 10 atoms in block 50
Block first atom: 2087
Blocpdb> 45 atoms in block 51
Block first atom: 2097
Blocpdb> 34 atoms in block 52
Block first atom: 2142
Blocpdb> 61 atoms in block 53
Block first atom: 2176
Blocpdb> 24 atoms in block 54
Block first atom: 2237
Blocpdb> 34 atoms in block 55
Block first atom: 2261
Blocpdb> 39 atoms in block 56
Block first atom: 2295
Blocpdb> 28 atoms in block 57
Block first atom: 2334
Blocpdb> 24 atoms in block 58
Block first atom: 2362
Blocpdb> 40 atoms in block 59
Block first atom: 2386
Blocpdb> 43 atoms in block 60
Block first atom: 2426
Blocpdb> 49 atoms in block 61
Block first atom: 2469
Blocpdb> 47 atoms in block 62
Block first atom: 2518
Blocpdb> 48 atoms in block 63
Block first atom: 2565
Blocpdb> 44 atoms in block 64
Block first atom: 2613
Blocpdb> 53 atoms in block 65
Block first atom: 2657
Blocpdb> 52 atoms in block 66
Block first atom: 2710
Blocpdb> 48 atoms in block 67
Block first atom: 2762
Blocpdb> 37 atoms in block 68
Block first atom: 2810
Blocpdb> 45 atoms in block 69
Block first atom: 2847
Blocpdb> 34 atoms in block 70
Block first atom: 2892
Blocpdb> 50 atoms in block 71
Block first atom: 2926
Blocpdb> 52 atoms in block 72
Block first atom: 2976
Blocpdb> 49 atoms in block 73
Block first atom: 3028
Blocpdb> 58 atoms in block 74
Block first atom: 3077
Blocpdb> 27 atoms in block 75
Block first atom: 3135
Blocpdb> 45 atoms in block 76
Block first atom: 3162
Blocpdb> 34 atoms in block 77
Block first atom: 3207
Blocpdb> 61 atoms in block 78
Block first atom: 3241
Blocpdb> 24 atoms in block 79
Block first atom: 3302
Blocpdb> 34 atoms in block 80
Block first atom: 3326
Blocpdb> 39 atoms in block 81
Block first atom: 3360
Blocpdb> 28 atoms in block 82
Block first atom: 3399
Blocpdb> 24 atoms in block 83
Block first atom: 3427
Blocpdb> 40 atoms in block 84
Block first atom: 3451
Blocpdb> 43 atoms in block 85
Block first atom: 3491
Blocpdb> 49 atoms in block 86
Block first atom: 3534
Blocpdb> 47 atoms in block 87
Block first atom: 3583
Blocpdb> 48 atoms in block 88
Block first atom: 3630
Blocpdb> 44 atoms in block 89
Block first atom: 3678
Blocpdb> 53 atoms in block 90
Block first atom: 3722
Blocpdb> 52 atoms in block 91
Block first atom: 3775
Blocpdb> 48 atoms in block 92
Block first atom: 3827
Blocpdb> 37 atoms in block 93
Block first atom: 3875
Blocpdb> 45 atoms in block 94
Block first atom: 3912
Blocpdb> 34 atoms in block 95
Block first atom: 3957
Blocpdb> 50 atoms in block 96
Block first atom: 3991
Blocpdb> 52 atoms in block 97
Block first atom: 4041
Blocpdb> 49 atoms in block 98
Block first atom: 4093
Blocpdb> 58 atoms in block 99
Block first atom: 4142
Blocpdb> 27 atoms in block 100
Block first atom: 4200
Blocpdb> 45 atoms in block 101
Block first atom: 4227
Blocpdb> 34 atoms in block 102
Block first atom: 4272
Blocpdb> 61 atoms in block 103
Block first atom: 4306
Blocpdb> 24 atoms in block 104
Block first atom: 4367
Blocpdb> 34 atoms in block 105
Block first atom: 4391
Blocpdb> 39 atoms in block 106
Block first atom: 4425
Blocpdb> 28 atoms in block 107
Block first atom: 4464
Blocpdb> 24 atoms in block 108
Block first atom: 4492
Blocpdb> 40 atoms in block 109
Block first atom: 4516
Blocpdb> 43 atoms in block 110
Block first atom: 4556
Blocpdb> 49 atoms in block 111
Block first atom: 4599
Blocpdb> 47 atoms in block 112
Block first atom: 4648
Blocpdb> 48 atoms in block 113
Block first atom: 4695
Blocpdb> 44 atoms in block 114
Block first atom: 4743
Blocpdb> 53 atoms in block 115
Block first atom: 4787
Blocpdb> 52 atoms in block 116
Block first atom: 4840
Blocpdb> 48 atoms in block 117
Block first atom: 4892
Blocpdb> 37 atoms in block 118
Block first atom: 4940
Blocpdb> 45 atoms in block 119
Block first atom: 4977
Blocpdb> 34 atoms in block 120
Block first atom: 5022
Blocpdb> 50 atoms in block 121
Block first atom: 5056
Blocpdb> 52 atoms in block 122
Block first atom: 5106
Blocpdb> 49 atoms in block 123
Block first atom: 5158
Blocpdb> 58 atoms in block 124
Block first atom: 5207
Blocpdb> 27 atoms in block 125
Block first atom: 5265
Blocpdb> 45 atoms in block 126
Block first atom: 5292
Blocpdb> 34 atoms in block 127
Block first atom: 5337
Blocpdb> 61 atoms in block 128
Block first atom: 5371
Blocpdb> 24 atoms in block 129
Block first atom: 5432
Blocpdb> 34 atoms in block 130
Block first atom: 5456
Blocpdb> 39 atoms in block 131
Block first atom: 5490
Blocpdb> 28 atoms in block 132
Block first atom: 5529
Blocpdb> 24 atoms in block 133
Block first atom: 5557
Blocpdb> 40 atoms in block 134
Block first atom: 5581
Blocpdb> 43 atoms in block 135
Block first atom: 5621
Blocpdb> 49 atoms in block 136
Block first atom: 5664
Blocpdb> 47 atoms in block 137
Block first atom: 5713
Blocpdb> 48 atoms in block 138
Block first atom: 5760
Blocpdb> 44 atoms in block 139
Block first atom: 5808
Blocpdb> 53 atoms in block 140
Block first atom: 5852
Blocpdb> 52 atoms in block 141
Block first atom: 5905
Blocpdb> 48 atoms in block 142
Block first atom: 5957
Blocpdb> 37 atoms in block 143
Block first atom: 6005
Blocpdb> 45 atoms in block 144
Block first atom: 6042
Blocpdb> 34 atoms in block 145
Block first atom: 6087
Blocpdb> 50 atoms in block 146
Block first atom: 6121
Blocpdb> 52 atoms in block 147
Block first atom: 6171
Blocpdb> 49 atoms in block 148
Block first atom: 6223
Blocpdb> 58 atoms in block 149
Block first atom: 6272
Blocpdb> 10 atoms in block 150
Block first atom: 6330
Blocpdb> 45 atoms in block 151
Block first atom: 6340
Blocpdb> 34 atoms in block 152
Block first atom: 6385
Blocpdb> 61 atoms in block 153
Block first atom: 6419
Blocpdb> 24 atoms in block 154
Block first atom: 6480
Blocpdb> 34 atoms in block 155
Block first atom: 6504
Blocpdb> 39 atoms in block 156
Block first atom: 6538
Blocpdb> 28 atoms in block 157
Block first atom: 6577
Blocpdb> 24 atoms in block 158
Block first atom: 6605
Blocpdb> 40 atoms in block 159
Block first atom: 6629
Blocpdb> 43 atoms in block 160
Block first atom: 6669
Blocpdb> 49 atoms in block 161
Block first atom: 6712
Blocpdb> 47 atoms in block 162
Block first atom: 6761
Blocpdb> 48 atoms in block 163
Block first atom: 6808
Blocpdb> 44 atoms in block 164
Block first atom: 6856
Blocpdb> 53 atoms in block 165
Block first atom: 6900
Blocpdb> 52 atoms in block 166
Block first atom: 6953
Blocpdb> 48 atoms in block 167
Block first atom: 7005
Blocpdb> 37 atoms in block 168
Block first atom: 7053
Blocpdb> 45 atoms in block 169
Block first atom: 7090
Blocpdb> 34 atoms in block 170
Block first atom: 7135
Blocpdb> 50 atoms in block 171
Block first atom: 7169
Blocpdb> 52 atoms in block 172
Block first atom: 7219
Blocpdb> 49 atoms in block 173
Block first atom: 7271
Blocpdb> 58 atoms in block 174
Block first atom: 7320
Blocpdb> 27 atoms in block 175
Block first atom: 7378
Blocpdb> 45 atoms in block 176
Block first atom: 7405
Blocpdb> 34 atoms in block 177
Block first atom: 7450
Blocpdb> 61 atoms in block 178
Block first atom: 7484
Blocpdb> 24 atoms in block 179
Block first atom: 7545
Blocpdb> 34 atoms in block 180
Block first atom: 7569
Blocpdb> 39 atoms in block 181
Block first atom: 7603
Blocpdb> 28 atoms in block 182
Block first atom: 7642
Blocpdb> 24 atoms in block 183
Block first atom: 7670
Blocpdb> 40 atoms in block 184
Block first atom: 7694
Blocpdb> 43 atoms in block 185
Block first atom: 7734
Blocpdb> 49 atoms in block 186
Block first atom: 7777
Blocpdb> 47 atoms in block 187
Block first atom: 7826
Blocpdb> 48 atoms in block 188
Block first atom: 7873
Blocpdb> 44 atoms in block 189
Block first atom: 7921
Blocpdb> 53 atoms in block 190
Block first atom: 7965
Blocpdb> 52 atoms in block 191
Block first atom: 8018
Blocpdb> 48 atoms in block 192
Block first atom: 8070
Blocpdb> 37 atoms in block 193
Block first atom: 8118
Blocpdb> 45 atoms in block 194
Block first atom: 8155
Blocpdb> 34 atoms in block 195
Block first atom: 8200
Blocpdb> 50 atoms in block 196
Block first atom: 8234
Blocpdb> 52 atoms in block 197
Block first atom: 8284
Blocpdb> 49 atoms in block 198
Block first atom: 8336
Blocpdb> 58 atoms in block 199
Block first atom: 8385
Blocpdb> 27 atoms in block 200
Block first atom: 8442
Blocpdb> 200 blocks.
Blocpdb> At most, 61 atoms in each of them.
Blocpdb> At least, 10 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> 6309972 matrix lines read.
Prepmat> Matrix order = 25407
Prepmat> Matrix trace = 13911140.0000
Prepmat> Last element read: 25407 25407 180.5372
Prepmat> 20101 lines saved.
Prepmat> 17711 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: 8469
RTB> Total mass = 8469.0000
RTB> Number of atoms found in matrix: 8469
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 540545.1754
RTB> 83004 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 = 1200
Diagstd> Nb of non-zero elements: 83004
Diagstd> Projected matrix trace = 540545.1754
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 540545.1754
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 6.3874113 8.8264874 8.9038027 16.3059870
17.5848082 18.2630371 18.3253558 18.8727684 20.8930983
21.2987837 22.1912197 22.4021837 31.4726770 36.8088213
37.1477517 38.2302964 38.3447115 39.6110556 39.7131671
40.5465462 45.5835809 47.7233028 49.3188674 50.4093313
51.0425860 53.1564776 53.8160561 54.0377471 56.2159159
56.4966951 56.8350735 58.1068384 60.0438081 60.8195574
61.8756890 62.7860246 64.1630971 65.0128040 67.5021664
69.0432144 69.4382007 70.3472565 70.9532362 71.4610375
73.3909879 73.9604413 74.2815479 74.8056228 77.4755895
78.8730490 79.0414565 80.6554497 80.8940125 81.9027824
83.5435393 85.5340590 86.2659077 87.0058540 87.6499004
89.2269362 92.5352914 93.7640565 94.3530908 95.0560135
96.2927090 97.0206523 97.7326453 99.7243323 101.5103824
103.8584361 104.7651231 105.9397020 107.9898383 108.2148544
110.0259638 110.3651569 112.0346985 112.9771536 113.3905831
115.7214663 116.9969351 117.8812763 119.1040605 119.4192844
120.4616546 121.2650396 122.5312206 123.2478045 124.1171956
125.2788424 125.5558390 127.4845039 128.3982885 129.5684874
130.3862417 131.8459086 133.0084457 133.8360169 134.3215375
135.5586639
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034310 0.0034316 0.0034331 0.0034346 0.0034350
0.0034356 274.4465152 322.6184737 324.0283764 438.4992207
455.3696673 464.0681692 464.8592616 471.7512781 496.3599182
501.1557082 511.5473820 513.9731796 609.2031254 658.8267670
661.8530086 671.4274812 672.4314499 683.4448708 684.3252143
691.4682019 733.1612443 750.1714410 762.6088262 770.9935566
775.8211498 791.7232118 796.6200152 798.2591353 814.1884286
816.2191916 818.6598528 827.7685145 841.4520915 846.8703108
854.1916155 860.4522476 869.8371253 875.5777747 892.1833948
902.3100225 904.8873345 910.7912773 914.7056979 917.9730659
930.2863465 933.8884995 935.9135882 939.2093380 955.8235464
964.4053151 965.4343512 975.2414216 976.6826419 982.7535204
992.5484496 1004.3031417 1008.5905123 1012.9068717 1016.6488966
1025.7541216 1044.5974921 1051.5101624 1054.8078321 1058.7296567
1065.5945307 1069.6147308 1073.5322786 1084.4158305 1094.0836104
1106.6649865 1111.4850974 1117.6984631 1128.4614455 1129.6365091
1139.0502169 1140.8046238 1149.4009589 1154.2253133 1156.3352754
1168.1597664 1174.5797863 1179.0105598 1185.1097312 1186.6769656
1191.8447626 1195.8124943 1202.0392812 1205.5490247 1209.7935298
1215.4417389 1216.7846926 1226.0945989 1230.4809589 1236.0754325
1239.9699598 1246.8913411 1252.3764417 1256.2665084 1258.5431420
1264.3255664
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8469
Rtb_to_modes> Number of blocs = 200
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: 9.9830E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9865E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.387
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.826
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.904
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 16.31
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 18.26
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 18.87
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 20.89
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 21.30
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 22.19
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.40
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 31.47
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 36.81
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 37.15
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 38.23
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 38.34
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 39.61
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 39.71
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 45.58
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 47.72
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 49.32
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 50.41
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 51.04
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 53.16
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 53.82
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 54.04
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 56.22
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 56.50
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 56.84
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 58.11
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 60.04
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 60.82
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 61.88
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 62.79
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 64.16
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 65.01
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 67.50
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 69.04
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 69.44
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 70.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 70.95
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 71.46
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 73.39
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 73.96
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 74.28
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 74.81
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 77.48
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 78.87
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 79.04
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 80.66
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 80.89
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 81.90
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 83.54
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 85.53
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 86.27
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 87.01
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 87.65
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 89.23
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 92.54
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 93.76
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 94.35
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 95.06
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 96.29
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 97.02
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 97.73
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 99.72
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 101.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 104.8
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 108.2
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 110.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 110.4
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 112.0
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 113.0
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 113.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 115.7
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 117.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 117.9
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 119.4
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 121.3
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 122.5
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 123.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 124.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 125.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 125.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 127.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 128.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 129.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 130.4
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 131.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 133.0
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 133.8
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 134.3
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 135.6
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 0.99999
0.99998 1.00000 0.99999 1.00002 0.99999
1.00000 0.99999 1.00000 1.00000 1.00002
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00001 1.00001 1.00000 1.00000
1.00001 0.99999 0.99999 1.00000 0.99999
1.00001 1.00002 1.00001 1.00000 1.00001
0.99998 0.99998 0.99999 0.99999 0.99998
0.99997 1.00001 0.99996 1.00001 0.99995
1.00002 0.99998 0.99998 0.99999 1.00002
1.00001 0.99998 1.00000 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00001
1.00002 1.00000 1.00000 1.00002 0.99999
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00000 0.99998 1.00000 1.00002 1.00000
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00000 0.99999 1.00003 1.00000
1.00001 1.00001 1.00000 1.00001 1.00001
1.00000 0.99999 1.00001 1.00004 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 152442 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 0.99999
0.99998 1.00000 0.99999 1.00002 0.99999
1.00000 0.99999 1.00000 1.00000 1.00002
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00001 1.00001 1.00000 1.00000
1.00001 0.99999 0.99999 1.00000 0.99999
1.00001 1.00002 1.00001 1.00000 1.00001
0.99998 0.99998 0.99999 0.99999 0.99998
0.99997 1.00001 0.99996 1.00001 0.99995
1.00002 0.99998 0.99998 0.99999 1.00002
1.00001 0.99998 1.00000 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00001
1.00002 1.00000 1.00000 1.00002 0.99999
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00000 0.99998 1.00000 1.00002 1.00000
1.00002 0.99999 1.00001 1.00000 1.00000
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00000 0.99999 1.00003 1.00000
1.00001 1.00001 1.00000 1.00001 1.00001
1.00000 0.99999 1.00001 1.00004 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4: 0.000 0.000 0.000
Vector 5:-0.000 0.000-0.000 0.000
Vector 6: 0.000-0.000-0.000 0.000 0.000
Vector 7:-0.000 0.000 0.000-0.000 0.000-0.000
Vector 8:-0.000-0.000-0.000 0.000-0.000 0.000 0.000
Vector 9:-0.000-0.000 0.000 0.000 0.000 0.000-0.000 0.000
Vector 10: 0.000 0.000 0.000 0.000-0.000-0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240323191618276522.eigenfacs
Openam> file on opening on unit 10:
240323191618276522.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240323191618276522.atom
Openam> file on opening on unit 11:
240323191618276522.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 = 589
First residue number = 1
Last residue number = 75
Number of atoms found = 8469
Mean number per residue = 14.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9830E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9865E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 18.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 20.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 21.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 31.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 36.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 37.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 38.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 38.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 39.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 39.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 45.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 47.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 49.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 50.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 51.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 53.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 53.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 54.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 56.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 56.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 56.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 58.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 60.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 60.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 61.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 62.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 64.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 65.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 67.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 69.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 69.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 70.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 70.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 71.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 73.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 73.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 74.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 74.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 77.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 78.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 79.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 80.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 80.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 81.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 83.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 85.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 86.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 87.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 87.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 89.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 92.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 93.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 94.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 95.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 96.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 97.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 97.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 99.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 101.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 104.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 110.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 110.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 112.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 113.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 113.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 115.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 117.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 117.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 119.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 121.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 122.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 123.2
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: 125.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 125.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 127.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 128.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 129.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 130.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 131.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 133.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 133.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 134.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 135.6
Bfactors> 106 vectors, 25407 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 : 6.387000
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= 0.205 for 589 C-alpha atoms.
Bfactors> = 0.003 +/- 0.00
Bfactors> = 56.440 +/- 19.39
Bfactors> Shiftng-fct= 56.437
Bfactors> Scaling-fct= 9377.965
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240323191618276522 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=0
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=100
240323191618276522.eigenfacs
240323191618276522.atom
making animated gifs
11 models are in 240323191618276522.7.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 240323191618276522.7.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 240323191618276522.7.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 240323191618276522 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=0
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=100
240323191618276522.eigenfacs
240323191618276522.atom
making animated gifs
11 models are in 240323191618276522.8.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 240323191618276522.8.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 240323191618276522.8.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 240323191618276522 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=0
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=100
240323191618276522.eigenfacs
240323191618276522.atom
making animated gifs
11 models are in 240323191618276522.9.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 240323191618276522.9.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 240323191618276522.9.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 240323191618276522 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=0
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=100
240323191618276522.eigenfacs
240323191618276522.atom
making animated gifs
11 models are in 240323191618276522.10.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 240323191618276522.10.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 240323191618276522.10.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 240323191618276522 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=-20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=0
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=20
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=40
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=60
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=80
240323191618276522.eigenfacs
240323191618276522.atom
calculating perturbed structure for DQ=100
240323191618276522.eigenfacs
240323191618276522.atom
making animated gifs
11 models are in 240323191618276522.11.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 240323191618276522.11.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 240323191618276522.11.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
240323191618276522.10.pdb
240323191618276522.11.pdb
240323191618276522.7.pdb
240323191618276522.8.pdb
240323191618276522.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m47.561s
user 0m47.323s
sys 0m0.192s
../../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: 240323191618276522.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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