*** ***
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 = 240123195300180014.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 240123195300180014.atom to be opened.
Openam> File opened: 240123195300180014.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 = 188
First residue number = 6
Last residue number = 208
Number of atoms found = 2980
Mean number per residue = 15.9
Pdbmat> Coordinate statistics:
= -36.136928 +/- 12.691496 From: -64.820000 To: -5.322000
= 36.731778 +/- 7.606584 From: 19.000000 To: 57.034000
= 36.803110 +/- 10.074569 From: 13.815000 To: 63.545000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'LIT ' is not a well known amino-acid.
%Pdbmat-W> residue:'LIT ' is not a well known amino-acid.
%Pdbmat-W> residue:'LIT ' is not a well known amino-acid.
%Pdbmat-W> 3 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.8912 % Filled.
Pdbmat> 1954824 non-zero elements.
Pdbmat> 215251 atom-atom interactions.
Pdbmat> Number per atom= 144.46 +/- 46.07
Maximum number = 242
Minimum number = 32
Pdbmat> Matrix trace = 4.305020E+06
Pdbmat> Larger element = 904.827
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
188 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 240123195300180014.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 240123195300180014.atom to be opened.
Openam> file on opening on unit 11:
240123195300180014.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2980 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 188 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 14
Blocpdb> 19 atoms in block 3
Block first atom: 36
Blocpdb> 22 atoms in block 4
Block first atom: 55
Blocpdb> 14 atoms in block 5
Block first atom: 77
Blocpdb> 15 atoms in block 6
Block first atom: 91
Blocpdb> 16 atoms in block 7
Block first atom: 106
Blocpdb> 16 atoms in block 8
Block first atom: 122
Blocpdb> 15 atoms in block 9
Block first atom: 138
Blocpdb> 15 atoms in block 10
Block first atom: 153
Blocpdb> 19 atoms in block 11
Block first atom: 168
Blocpdb> 14 atoms in block 12
Block first atom: 187
Blocpdb> 24 atoms in block 13
Block first atom: 201
Blocpdb> 22 atoms in block 14
Block first atom: 225
Blocpdb> 14 atoms in block 15
Block first atom: 247
Blocpdb> 21 atoms in block 16
Block first atom: 261
Blocpdb> 20 atoms in block 17
Block first atom: 282
Blocpdb> 14 atoms in block 18
Block first atom: 302
Blocpdb> 15 atoms in block 19
Block first atom: 316
Blocpdb> 22 atoms in block 20
Block first atom: 331
Blocpdb> 15 atoms in block 21
Block first atom: 353
Blocpdb> 16 atoms in block 22
Block first atom: 368
Blocpdb> 17 atoms in block 23
Block first atom: 384
Blocpdb> 17 atoms in block 24
Block first atom: 401
Blocpdb> 24 atoms in block 25
Block first atom: 418
Blocpdb> 21 atoms in block 26
Block first atom: 442
Blocpdb> 22 atoms in block 27
Block first atom: 463
Blocpdb> 7 atoms in block 28
Block first atom: 485
Blocpdb> 20 atoms in block 29
Block first atom: 492
Blocpdb> 19 atoms in block 30
Block first atom: 512
Blocpdb> 22 atoms in block 31
Block first atom: 531
Blocpdb> 12 atoms in block 32
Block first atom: 553
Blocpdb> 11 atoms in block 33
Block first atom: 565
Blocpdb> 14 atoms in block 34
Block first atom: 576
Blocpdb> 11 atoms in block 35
Block first atom: 590
Blocpdb> 7 atoms in block 36
Block first atom: 601
Blocpdb> 17 atoms in block 37
Block first atom: 608
Blocpdb> 19 atoms in block 38
Block first atom: 625
Blocpdb> 12 atoms in block 39
Block first atom: 644
Blocpdb> 10 atoms in block 40
Block first atom: 656
Blocpdb> 10 atoms in block 41
Block first atom: 666
Blocpdb> 7 atoms in block 42
Block first atom: 676
Blocpdb> 20 atoms in block 43
Block first atom: 683
Blocpdb> 17 atoms in block 44
Block first atom: 703
Blocpdb> 22 atoms in block 45
Block first atom: 720
Blocpdb> 19 atoms in block 46
Block first atom: 742
Blocpdb> 21 atoms in block 47
Block first atom: 761
Blocpdb> 22 atoms in block 48
Block first atom: 782
Blocpdb> 17 atoms in block 49
Block first atom: 804
Blocpdb> 20 atoms in block 50
Block first atom: 821
Blocpdb> 20 atoms in block 51
Block first atom: 841
Blocpdb> 14 atoms in block 52
Block first atom: 861
Blocpdb> 20 atoms in block 53
Block first atom: 875
Blocpdb> 7 atoms in block 54
Block first atom: 895
Blocpdb> 12 atoms in block 55
Block first atom: 902
Blocpdb> 14 atoms in block 56
Block first atom: 914
Blocpdb> 14 atoms in block 57
Block first atom: 928
Blocpdb> 22 atoms in block 58
Block first atom: 942
Blocpdb> 20 atoms in block 59
Block first atom: 964
Blocpdb> 10 atoms in block 60
Block first atom: 984
Blocpdb> 14 atoms in block 61
Block first atom: 994
Blocpdb> 20 atoms in block 62
Block first atom: 1008
Blocpdb> 16 atoms in block 63
Block first atom: 1028
Blocpdb> 20 atoms in block 64
Block first atom: 1044
Blocpdb> 14 atoms in block 65
Block first atom: 1064
Blocpdb> 16 atoms in block 66
Block first atom: 1078
Blocpdb> 20 atoms in block 67
Block first atom: 1094
Blocpdb> 12 atoms in block 68
Block first atom: 1114
Blocpdb> 15 atoms in block 69
Block first atom: 1126
Blocpdb> 14 atoms in block 70
Block first atom: 1141
Blocpdb> 22 atoms in block 71
Block first atom: 1155
Blocpdb> 12 atoms in block 72
Block first atom: 1177
Blocpdb> 7 atoms in block 73
Block first atom: 1189
Blocpdb> 24 atoms in block 74
Block first atom: 1196
Blocpdb> 19 atoms in block 75
Block first atom: 1220
Blocpdb> 15 atoms in block 76
Block first atom: 1239
Blocpdb> 20 atoms in block 77
Block first atom: 1254
Blocpdb> 11 atoms in block 78
Block first atom: 1274
Blocpdb> 15 atoms in block 79
Block first atom: 1285
Blocpdb> 20 atoms in block 80
Block first atom: 1300
Blocpdb> 19 atoms in block 81
Block first atom: 1320
Blocpdb> 17 atoms in block 82
Block first atom: 1339
Blocpdb> 10 atoms in block 83
Block first atom: 1356
Blocpdb> 19 atoms in block 84
Block first atom: 1366
Blocpdb> 11 atoms in block 85
Block first atom: 1385
Blocpdb> 16 atoms in block 86
Block first atom: 1396
Blocpdb> 14 atoms in block 87
Block first atom: 1412
Blocpdb> 11 atoms in block 88
Block first atom: 1426
Blocpdb> 24 atoms in block 89
Block first atom: 1437
Blocpdb> 7 atoms in block 90
Block first atom: 1461
Blocpdb> 14 atoms in block 91
Block first atom: 1468
Blocpdb> 19 atoms in block 92
Block first atom: 1482
Blocpdb> 12 atoms in block 93
Block first atom: 1501
Blocpdb> 15 atoms in block 94
Block first atom: 1513
Blocpdb> 22 atoms in block 95
Block first atom: 1528
Blocpdb> 19 atoms in block 96
Block first atom: 1550
Blocpdb> 24 atoms in block 97
Block first atom: 1569
Blocpdb> 24 atoms in block 98
Block first atom: 1593
Blocpdb> 10 atoms in block 99
Block first atom: 1617
Blocpdb> 20 atoms in block 100
Block first atom: 1627
Blocpdb> 22 atoms in block 101
Block first atom: 1647
Blocpdb> 19 atoms in block 102
Block first atom: 1669
Blocpdb> 21 atoms in block 103
Block first atom: 1688
Blocpdb> 12 atoms in block 104
Block first atom: 1709
Blocpdb> 19 atoms in block 105
Block first atom: 1721
Blocpdb> 12 atoms in block 106
Block first atom: 1740
Blocpdb> 14 atoms in block 107
Block first atom: 1752
Blocpdb> 12 atoms in block 108
Block first atom: 1766
Blocpdb> 7 atoms in block 109
Block first atom: 1778
Blocpdb> 21 atoms in block 110
Block first atom: 1785
Blocpdb> 19 atoms in block 111
Block first atom: 1806
Blocpdb> 14 atoms in block 112
Block first atom: 1825
Blocpdb> 24 atoms in block 113
Block first atom: 1839
Blocpdb> 14 atoms in block 114
Block first atom: 1863
Blocpdb> 15 atoms in block 115
Block first atom: 1877
Blocpdb> 17 atoms in block 116
Block first atom: 1892
Blocpdb> 19 atoms in block 117
Block first atom: 1909
Blocpdb> 12 atoms in block 118
Block first atom: 1928
Blocpdb> 19 atoms in block 119
Block first atom: 1940
Blocpdb> 16 atoms in block 120
Block first atom: 1959
Blocpdb> 12 atoms in block 121
Block first atom: 1975
Blocpdb> 10 atoms in block 122
Block first atom: 1987
Blocpdb> 19 atoms in block 123
Block first atom: 1997
Blocpdb> 21 atoms in block 124
Block first atom: 2016
Blocpdb> 17 atoms in block 125
Block first atom: 2037
Blocpdb> 17 atoms in block 126
Block first atom: 2054
Blocpdb> 16 atoms in block 127
Block first atom: 2071
Blocpdb> 7 atoms in block 128
Block first atom: 2087
Blocpdb> 14 atoms in block 129
Block first atom: 2094
Blocpdb> 14 atoms in block 130
Block first atom: 2108
Blocpdb> 16 atoms in block 131
Block first atom: 2122
Blocpdb> 15 atoms in block 132
Block first atom: 2138
Blocpdb> 19 atoms in block 133
Block first atom: 2153
Blocpdb> 14 atoms in block 134
Block first atom: 2172
Blocpdb> 15 atoms in block 135
Block first atom: 2186
Blocpdb> 15 atoms in block 136
Block first atom: 2201
Blocpdb> 15 atoms in block 137
Block first atom: 2216
Blocpdb> 14 atoms in block 138
Block first atom: 2231
Blocpdb> 14 atoms in block 139
Block first atom: 2245
Blocpdb> 14 atoms in block 140
Block first atom: 2259
Blocpdb> 15 atoms in block 141
Block first atom: 2273
Blocpdb> 22 atoms in block 142
Block first atom: 2288
Blocpdb> 24 atoms in block 143
Block first atom: 2310
Blocpdb> 16 atoms in block 144
Block first atom: 2334
Blocpdb> 12 atoms in block 145
Block first atom: 2350
Blocpdb> 24 atoms in block 146
Block first atom: 2362
Blocpdb> 19 atoms in block 147
Block first atom: 2386
Blocpdb> 20 atoms in block 148
Block first atom: 2405
Blocpdb> 10 atoms in block 149
Block first atom: 2425
Blocpdb> 17 atoms in block 150
Block first atom: 2435
Blocpdb> 17 atoms in block 151
Block first atom: 2452
Blocpdb> 12 atoms in block 152
Block first atom: 2469
Blocpdb> 22 atoms in block 153
Block first atom: 2481
Blocpdb> 14 atoms in block 154
Block first atom: 2503
Blocpdb> 10 atoms in block 155
Block first atom: 2517
Blocpdb> 12 atoms in block 156
Block first atom: 2527
Blocpdb> 7 atoms in block 157
Block first atom: 2539
Blocpdb> 22 atoms in block 158
Block first atom: 2546
Blocpdb> 19 atoms in block 159
Block first atom: 2568
Blocpdb> 14 atoms in block 160
Block first atom: 2587
Blocpdb> 19 atoms in block 161
Block first atom: 2601
Blocpdb> 17 atoms in block 162
Block first atom: 2620
Blocpdb> 15 atoms in block 163
Block first atom: 2637
Blocpdb> 20 atoms in block 164
Block first atom: 2652
Blocpdb> 17 atoms in block 165
Block first atom: 2672
Blocpdb> 15 atoms in block 166
Block first atom: 2689
Blocpdb> 7 atoms in block 167
Block first atom: 2704
Blocpdb> 11 atoms in block 168
Block first atom: 2711
Blocpdb> 22 atoms in block 169
Block first atom: 2722
Blocpdb> 10 atoms in block 170
Block first atom: 2744
Blocpdb> 12 atoms in block 171
Block first atom: 2754
Blocpdb> 14 atoms in block 172
Block first atom: 2766
Blocpdb> 11 atoms in block 173
Block first atom: 2780
Blocpdb> 19 atoms in block 174
Block first atom: 2791
Blocpdb> 16 atoms in block 175
Block first atom: 2810
Blocpdb> 17 atoms in block 176
Block first atom: 2826
Blocpdb> 10 atoms in block 177
Block first atom: 2843
Blocpdb> 19 atoms in block 178
Block first atom: 2853
Blocpdb> 11 atoms in block 179
Block first atom: 2872
Blocpdb> 19 atoms in block 180
Block first atom: 2883
Blocpdb> 21 atoms in block 181
Block first atom: 2902
Blocpdb> 12 atoms in block 182
Block first atom: 2923
Blocpdb> 7 atoms in block 183
Block first atom: 2935
Blocpdb> 19 atoms in block 184
Block first atom: 2942
Blocpdb> 17 atoms in block 185
Block first atom: 2961
%Blocpdb-Wn> 1 atoms in block 186 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 2978th, in residue L 206
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 186
Block first atom: 2977
Blocpdb> 186 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 3 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> 1955010 matrix lines read.
Prepmat> Matrix order = 8940
Prepmat> Matrix trace = 4305020.0000
Prepmat> Last element read: 8940 8940 276.5554
Prepmat> 17392 lines saved.
Prepmat> 14825 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: 2980
RTB> Total mass = 2980.0000
RTB> Number of atoms found in matrix: 2980
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 480835.6802
RTB> 89586 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 = 1116
Diagstd> Nb of non-zero elements: 89586
Diagstd> Projected matrix trace = 480835.6802
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 480835.6802
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 4.5520437 5.0078604 6.7264263 8.1905731
11.2562134 12.0215240 13.8907515 16.8718620 18.5306058
19.5182803 21.0342880 23.0584845 24.3223448 27.0730341
28.2488782 29.8185048 32.1166964 32.9892738 34.7014665
36.7897464 37.1697647 40.5134178 41.3878649 43.2348088
44.8395111 46.6557511 47.2718363 47.6297376 48.8040250
50.1649764 51.0510928 52.2531650 53.5933139 55.2273323
56.9586034 57.6586136 59.6565174 61.2335317 62.8210094
63.3110231 65.3984312 67.1061283 67.7828915 68.9888368
73.0553637 73.2971515 75.2094565 76.0558781 78.1297000
78.8185588 79.8945653 81.4488657 82.8737239 83.9468487
85.1925421 87.3431220 88.3576631 88.7506728 90.7873574
91.2209254 92.7873045 94.0560371 94.8162433 95.2520561
97.7878442 99.3848817 99.8723160 101.3942156 102.7044081
104.1688112 105.6959654 107.4290097 108.1495952 110.1399300
112.1847046 113.1603593 114.9032156 115.2616426 116.1900866
117.1425479 119.2730968 120.7228067 122.9979508 123.9478585
124.4170391 124.8735131 125.4309341 126.8129994 128.5061810
128.9271515 130.1502049 131.1984750 131.8445802 133.0378558
134.5676055 135.7113659 136.4425877 137.0253174 138.0218969
139.1157451
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034328 0.0034331 0.0034333 0.0034340
0.0034357 231.6853061 243.0084559 281.6355503 310.7795444
364.3270688 376.5087245 404.7232477 446.0430607 467.4553008
479.7511838 498.0342246 521.4475844 535.5475052 565.0199018
577.1595463 592.9774958 615.4045650 623.7084932 639.6894596
658.6560381 662.0490795 691.1856639 698.6051640 714.0227538
727.1528569 741.7334635 746.6146663 749.4356957 758.6179256
769.1226240 775.8857965 784.9673278 794.9697190 806.9977301
819.5490407 824.5697118 838.7339617 849.7475761 860.6919389
864.0421844 878.1707052 889.5623056 894.0366569 901.9546285
928.1567639 929.6914328 941.7410588 947.0254991 959.8499769
964.0721230 970.6304224 980.0264579 988.5615336 994.9413464
1002.2961661 1014.8681800 1020.7453047 1023.0128933 1034.6845586
1037.1522578 1046.0189673 1053.1460874 1057.3935389 1059.8208515
1073.8353988 1082.5686413 1085.2201297 1093.4574052 1100.4994311
1108.3173561 1116.4119724 1125.5273854 1129.2958427 1139.6399850
1150.1701828 1155.1607903 1164.0224906 1165.8365923 1170.5226394
1175.3104924 1185.9504055 1193.1359794 1204.3264324 1208.9679674
1211.2539633 1213.4739155 1216.1793038 1222.8612059 1230.9978343
1233.0124847 1238.8470994 1243.8261234 1246.8850593 1252.5148932
1259.6953977 1265.0374747 1268.4409494 1271.1467420 1275.7608666
1280.8062061
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2980
Rtb_to_modes> Number of blocs = 186
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: 9.9887E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.552
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.008
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.726
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.191
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.26
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 13.89
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 16.87
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 18.53
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 19.52
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 21.03
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 23.06
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 24.32
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 27.07
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 32.12
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 32.99
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 34.70
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 36.79
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 37.17
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 40.51
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 41.39
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 43.23
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 44.84
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 46.66
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 47.27
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 47.63
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 48.80
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 50.16
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 52.25
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 53.59
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 55.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 56.96
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 57.66
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 59.66
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 61.23
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 62.82
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 63.31
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 65.40
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 67.11
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 67.78
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 68.99
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 73.06
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 73.30
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 75.21
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 76.06
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 78.13
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 78.82
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 79.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 81.45
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 82.87
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 83.95
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 85.19
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 87.34
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 88.36
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 88.75
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 90.79
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 91.22
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 92.79
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 94.06
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 94.82
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 95.25
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 97.79
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 99.38
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 99.87
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 102.7
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 104.2
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 107.4
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 108.1
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 110.1
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 112.2
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 113.2
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 115.3
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 117.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 119.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 120.7
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 123.0
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 123.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 124.4
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 124.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 125.4
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 126.8
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 128.5
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 128.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 130.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 131.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 131.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 133.0
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 134.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 135.7
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 136.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 137.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 138.0
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 139.1
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00001 1.00000
0.99999 1.00003 1.00002 0.99998 1.00004
0.99998 1.00000 0.99997 0.99999 0.99998
1.00002 0.99999 1.00003 1.00000 0.99995
1.00001 1.00002 1.00000 1.00001 0.99997
1.00001 1.00000 1.00000 1.00002 1.00000
1.00002 1.00000 0.99998 0.99999 1.00002
1.00000 1.00001 0.99999 1.00000 0.99996
1.00002 1.00000 1.00001 1.00002 0.99998
1.00000 1.00000 0.99999 0.99999 0.99998
0.99999 1.00000 1.00001 1.00001 1.00005
1.00001 1.00000 0.99999 1.00004 0.99998
0.99998 0.99997 1.00001 1.00002 0.99999
1.00003 1.00002 1.00001 1.00003 0.99998
1.00001 0.99999 1.00002 0.99999 0.99999
1.00000 1.00000 0.99999 1.00000 0.99998
1.00000 1.00000 0.99996 1.00000 0.99998
1.00000 1.00001 0.99999 0.99998 0.99997
0.99998 1.00001 1.00000 1.00001 0.99998
1.00002 1.00003 1.00000 0.99995 0.99997
1.00002 0.99998 1.00001 0.99999 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 53640 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00001 1.00000
0.99999 1.00003 1.00002 0.99998 1.00004
0.99998 1.00000 0.99997 0.99999 0.99998
1.00002 0.99999 1.00003 1.00000 0.99995
1.00001 1.00002 1.00000 1.00001 0.99997
1.00001 1.00000 1.00000 1.00002 1.00000
1.00002 1.00000 0.99998 0.99999 1.00002
1.00000 1.00001 0.99999 1.00000 0.99996
1.00002 1.00000 1.00001 1.00002 0.99998
1.00000 1.00000 0.99999 0.99999 0.99998
0.99999 1.00000 1.00001 1.00001 1.00005
1.00001 1.00000 0.99999 1.00004 0.99998
0.99998 0.99997 1.00001 1.00002 0.99999
1.00003 1.00002 1.00001 1.00003 0.99998
1.00001 0.99999 1.00002 0.99999 0.99999
1.00000 1.00000 0.99999 1.00000 0.99998
1.00000 1.00000 0.99996 1.00000 0.99998
1.00000 1.00001 0.99999 0.99998 0.99997
0.99998 1.00001 1.00000 1.00001 0.99998
1.00002 1.00003 1.00000 0.99995 0.99997
1.00002 0.99998 1.00001 0.99999 0.99999
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000-0.000
Vector 5:-0.000-0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000-0.000-0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000-0.000 0.000-0.000
Vector 9:-0.000-0.000 0.000-0.000-0.000 0.000-0.000-0.000
Vector 10:-0.000-0.000-0.000-0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240123195300180014.eigenfacs
Openam> file on opening on unit 10:
240123195300180014.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240123195300180014.atom
Openam> file on opening on unit 11:
240123195300180014.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 = 188
First residue number = 6
Last residue number = 208
Number of atoms found = 2980
Mean number per residue = 15.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9887E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-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: 4.552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 18.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 19.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 23.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 24.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 27.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 32.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 32.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 34.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 36.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 37.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 40.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 43.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 44.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 46.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 47.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 47.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 48.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 50.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 52.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 53.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 55.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 56.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 57.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 59.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 61.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 62.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 63.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 65.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 67.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 67.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 68.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 73.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 73.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 75.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 76.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 78.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 78.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 79.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 81.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 82.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 83.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 85.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 87.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 88.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 88.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 90.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 91.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 92.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 94.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 94.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 95.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 97.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 99.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 99.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 102.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 107.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 108.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 110.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 112.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 113.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 115.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 117.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 119.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 120.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 123.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 123.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 124.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 124.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 125.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 126.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 128.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 128.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 130.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 131.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 131.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 133.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 134.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 135.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 136.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 137.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 138.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 139.1
Bfactors> 106 vectors, 8940 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 : 4.552000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.010 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.010
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240123195300180014 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=0
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=100
240123195300180014.eigenfacs
240123195300180014.atom
making animated gifs
11 models are in 240123195300180014.7.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 240123195300180014.7.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 240123195300180014.7.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 240123195300180014 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=0
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=100
240123195300180014.eigenfacs
240123195300180014.atom
making animated gifs
11 models are in 240123195300180014.8.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 240123195300180014.8.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 240123195300180014.8.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 240123195300180014 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=0
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=100
240123195300180014.eigenfacs
240123195300180014.atom
making animated gifs
11 models are in 240123195300180014.9.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 240123195300180014.9.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 240123195300180014.9.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 240123195300180014 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=0
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=100
240123195300180014.eigenfacs
240123195300180014.atom
making animated gifs
11 models are in 240123195300180014.10.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 240123195300180014.10.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 240123195300180014.10.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 240123195300180014 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=-20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=0
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=20
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=40
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=60
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=80
240123195300180014.eigenfacs
240123195300180014.atom
calculating perturbed structure for DQ=100
240123195300180014.eigenfacs
240123195300180014.atom
making animated gifs
11 models are in 240123195300180014.11.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 240123195300180014.11.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 240123195300180014.11.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
240123195300180014.10.pdb
240123195300180014.11.pdb
240123195300180014.7.pdb
240123195300180014.8.pdb
240123195300180014.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.158s
user 0m22.068s
sys 0m0.072s
../../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: 240123195300180014.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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