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***  G-PROTEIN 02-MAY-97 1AJE  ***

LOGs for ID: 20112614323718994

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 = 20112614323718994.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 20112614323718994.atom to be opened. Openam> File opened: 20112614323718994.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 = 3880 First residue number = -7 Last residue number = 187 Number of atoms found = 61060 Mean number per residue = 15.7 Pdbmat> Coordinate statistics: = 0.371539 +/- 12.594535 From: -38.969000 To: 32.591000 = 0.391759 +/- 8.947904 From: -31.506000 To: 34.514000 = 0.338790 +/- 8.298998 From: -22.250000 To: 24.893000 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 ******** % Filled. Pdbmat> 850519742 non-zero elements. Pdbmat> 94477065 atom-atom interactions. Pdbmat> Number per atom= 3094.56 +/- 1398.87 Maximum number = 5799 Minimum number = 20 Pdbmat> Matrix trace = 1.889541E+09 Pdbmat> Larger element = 20757.5 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 3880 non-zero elements, NRBL set to 20 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 = 20112614323718994.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 20 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 20112614323718994.atom to be opened. Openam> file on opening on unit 11: 20112614323718994.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 61060 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 20 residue(s) per block. Blocpdb> 3880 residues. Blocpdb> 101 atoms in block 1 Block first atom: 1 Blocpdb> 292 atoms in block 2 Block first atom: 102 Blocpdb> 323 atoms in block 3 Block first atom: 394 Blocpdb> 278 atoms in block 4 Block first atom: 717 Blocpdb> 337 atoms in block 5 Block first atom: 995 Blocpdb> 314 atoms in block 6 Block first atom: 1332 Blocpdb> 328 atoms in block 7 Block first atom: 1646 Blocpdb> 321 atoms in block 8 Block first atom: 1974 Blocpdb> 318 atoms in block 9 Block first atom: 2295 Blocpdb> 308 atoms in block 10 Block first atom: 2613 Blocpdb> 133 atoms in block 11 Block first atom: 2921 Blocpdb> 101 atoms in block 12 Block first atom: 3054 Blocpdb> 292 atoms in block 13 Block first atom: 3155 Blocpdb> 323 atoms in block 14 Block first atom: 3447 Blocpdb> 278 atoms in block 15 Block first atom: 3770 Blocpdb> 337 atoms in block 16 Block first atom: 4048 Blocpdb> 314 atoms in block 17 Block first atom: 4385 Blocpdb> 328 atoms in block 18 Block first atom: 4699 Blocpdb> 321 atoms in block 19 Block first atom: 5027 Blocpdb> 318 atoms in block 20 Block first atom: 5348 Blocpdb> 308 atoms in block 21 Block first atom: 5666 Blocpdb> 133 atoms in block 22 Block first atom: 5974 Blocpdb> 101 atoms in block 23 Block first atom: 6107 Blocpdb> 292 atoms in block 24 Block first atom: 6208 Blocpdb> 323 atoms in block 25 Block first atom: 6500 Blocpdb> 278 atoms in block 26 Block first atom: 6823 Blocpdb> 337 atoms in block 27 Block first atom: 7101 Blocpdb> 314 atoms in block 28 Block first atom: 7438 Blocpdb> 328 atoms in block 29 Block first atom: 7752 Blocpdb> 321 atoms in block 30 Block first atom: 8080 Blocpdb> 318 atoms in block 31 Block first atom: 8401 Blocpdb> 308 atoms in block 32 Block first atom: 8719 Blocpdb> 133 atoms in block 33 Block first atom: 9027 Blocpdb> 101 atoms in block 34 Block first atom: 9160 Blocpdb> 292 atoms in block 35 Block first atom: 9261 Blocpdb> 323 atoms in block 36 Block first atom: 9553 Blocpdb> 278 atoms in block 37 Block first atom: 9876 Blocpdb> 337 atoms in block 38 Block first atom: 10154 Blocpdb> 314 atoms in block 39 Block first atom: 10491 Blocpdb> 328 atoms in block 40 Block first atom: 10805 Blocpdb> 321 atoms in block 41 Block first atom: 11133 Blocpdb> 318 atoms in block 42 Block first atom: 11454 Blocpdb> 308 atoms in block 43 Block first atom: 11772 Blocpdb> 133 atoms in block 44 Block first atom: 12080 Blocpdb> 101 atoms in block 45 Block first atom: 12213 Blocpdb> 292 atoms in block 46 Block first atom: 12314 Blocpdb> 323 atoms in block 47 Block first atom: 12606 Blocpdb> 278 atoms in block 48 Block first atom: 12929 Blocpdb> 337 atoms in block 49 Block first atom: 13207 Blocpdb> 314 atoms in block 50 Block first atom: 13544 Blocpdb> 328 atoms in block 51 Block first atom: 13858 Blocpdb> 321 atoms in block 52 Block first atom: 14186 Blocpdb> 318 atoms in block 53 Block first atom: 14507 Blocpdb> 308 atoms in block 54 Block first atom: 14825 Blocpdb> 133 atoms in block 55 Block first atom: 15133 Blocpdb> 101 atoms in block 56 Block first atom: 15266 Blocpdb> 292 atoms in block 57 Block first atom: 15367 Blocpdb> 323 atoms in block 58 Block first atom: 15659 Blocpdb> 278 atoms in block 59 Block first atom: 15982 Blocpdb> 337 atoms in block 60 Block first atom: 16260 Blocpdb> 314 atoms in block 61 Block first atom: 16597 Blocpdb> 328 atoms in block 62 Block first atom: 16911 Blocpdb> 321 atoms in block 63 Block first atom: 17239 Blocpdb> 318 atoms in block 64 Block first atom: 17560 Blocpdb> 308 atoms in block 65 Block first atom: 17878 Blocpdb> 133 atoms in block 66 Block first atom: 18186 Blocpdb> 101 atoms in block 67 Block first atom: 18319 Blocpdb> 292 atoms in block 68 Block first atom: 18420 Blocpdb> 323 atoms in block 69 Block first atom: 18712 Blocpdb> 278 atoms in block 70 Block first atom: 19035 Blocpdb> 337 atoms in block 71 Block first atom: 19313 Blocpdb> 314 atoms in block 72 Block first atom: 19650 Blocpdb> 328 atoms in block 73 Block first atom: 19964 Blocpdb> 321 atoms in block 74 Block first atom: 20292 Blocpdb> 318 atoms in block 75 Block first atom: 20613 Blocpdb> 308 atoms in block 76 Block first atom: 20931 Blocpdb> 133 atoms in block 77 Block first atom: 21239 Blocpdb> 101 atoms in block 78 Block first atom: 21372 Blocpdb> 292 atoms in block 79 Block first atom: 21473 Blocpdb> 323 atoms in block 80 Block first atom: 21765 Blocpdb> 278 atoms in block 81 Block first atom: 22088 Blocpdb> 337 atoms in block 82 Block first atom: 22366 Blocpdb> 314 atoms in block 83 Block first atom: 22703 Blocpdb> 328 atoms in block 84 Block first atom: 23017 Blocpdb> 321 atoms in block 85 Block first atom: 23345 Blocpdb> 318 atoms in block 86 Block first atom: 23666 Blocpdb> 308 atoms in block 87 Block first atom: 23984 Blocpdb> 133 atoms in block 88 Block first atom: 24292 Blocpdb> 101 atoms in block 89 Block first atom: 24425 Blocpdb> 292 atoms in block 90 Block first atom: 24526 Blocpdb> 323 atoms in block 91 Block first atom: 24818 Blocpdb> 278 atoms in block 92 Block first atom: 25141 Blocpdb> 337 atoms in block 93 Block first atom: 25419 Blocpdb> 314 atoms in block 94 Block first atom: 25756 Blocpdb> 328 atoms in block 95 Block first atom: 26070 Blocpdb> 321 atoms in block 96 Block first atom: 26398 Blocpdb> 318 atoms in block 97 Block first atom: 26719 Blocpdb> 308 atoms in block 98 Block first atom: 27037 Blocpdb> 133 atoms in block 99 Block first atom: 27345 Blocpdb> 101 atoms in block 100 Block first atom: 27478 Blocpdb> 292 atoms in block 101 Block first atom: 27579 Blocpdb> 323 atoms in block 102 Block first atom: 27871 Blocpdb> 278 atoms in block 103 Block first atom: 28194 Blocpdb> 337 atoms in block 104 Block first atom: 28472 Blocpdb> 314 atoms in block 105 Block first atom: 28809 Blocpdb> 328 atoms in block 106 Block first atom: 29123 Blocpdb> 321 atoms in block 107 Block first atom: 29451 Blocpdb> 318 atoms in block 108 Block first atom: 29772 Blocpdb> 308 atoms in block 109 Block first atom: 30090 Blocpdb> 133 atoms in block 110 Block first atom: 30398 Blocpdb> 101 atoms in block 111 Block first atom: 30531 Blocpdb> 292 atoms in block 112 Block first atom: 30632 Blocpdb> 323 atoms in block 113 Block first atom: 30924 Blocpdb> 278 atoms in block 114 Block first atom: 31247 Blocpdb> 337 atoms in block 115 Block first atom: 31525 Blocpdb> 314 atoms in block 116 Block first atom: 31862 Blocpdb> 328 atoms in block 117 Block first atom: 32176 Blocpdb> 321 atoms in block 118 Block first atom: 32504 Blocpdb> 318 atoms in block 119 Block first atom: 32825 Blocpdb> 308 atoms in block 120 Block first atom: 33143 Blocpdb> 133 atoms in block 121 Block first atom: 33451 Blocpdb> 101 atoms in block 122 Block first atom: 33584 Blocpdb> 292 atoms in block 123 Block first atom: 33685 Blocpdb> 323 atoms in block 124 Block first atom: 33977 Blocpdb> 278 atoms in block 125 Block first atom: 34300 Blocpdb> 337 atoms in block 126 Block first atom: 34578 Blocpdb> 314 atoms in block 127 Block first atom: 34915 Blocpdb> 328 atoms in block 128 Block first atom: 35229 Blocpdb> 321 atoms in block 129 Block first atom: 35557 Blocpdb> 318 atoms in block 130 Block first atom: 35878 Blocpdb> 308 atoms in block 131 Block first atom: 36196 Blocpdb> 133 atoms in block 132 Block first atom: 36504 Blocpdb> 101 atoms in block 133 Block first atom: 36637 Blocpdb> 292 atoms in block 134 Block first atom: 36738 Blocpdb> 323 atoms in block 135 Block first atom: 37030 Blocpdb> 278 atoms in block 136 Block first atom: 37353 Blocpdb> 337 atoms in block 137 Block first atom: 37631 Blocpdb> 314 atoms in block 138 Block first atom: 37968 Blocpdb> 328 atoms in block 139 Block first atom: 38282 Blocpdb> 321 atoms in block 140 Block first atom: 38610 Blocpdb> 318 atoms in block 141 Block first atom: 38931 Blocpdb> 308 atoms in block 142 Block first atom: 39249 Blocpdb> 133 atoms in block 143 Block first atom: 39557 Blocpdb> 101 atoms in block 144 Block first atom: 39690 Blocpdb> 292 atoms in block 145 Block first atom: 39791 Blocpdb> 323 atoms in block 146 Block first atom: 40083 Blocpdb> 278 atoms in block 147 Block first atom: 40406 Blocpdb> 337 atoms in block 148 Block first atom: 40684 Blocpdb> 314 atoms in block 149 Block first atom: 41021 Blocpdb> 328 atoms in block 150 Block first atom: 41335 Blocpdb> 321 atoms in block 151 Block first atom: 41663 Blocpdb> 318 atoms in block 152 Block first atom: 41984 Blocpdb> 308 atoms in block 153 Block first atom: 42302 Blocpdb> 133 atoms in block 154 Block first atom: 42610 Blocpdb> 101 atoms in block 155 Block first atom: 42743 Blocpdb> 292 atoms in block 156 Block first atom: 42844 Blocpdb> 323 atoms in block 157 Block first atom: 43136 Blocpdb> 278 atoms in block 158 Block first atom: 43459 Blocpdb> 337 atoms in block 159 Block first atom: 43737 Blocpdb> 314 atoms in block 160 Block first atom: 44074 Blocpdb> 328 atoms in block 161 Block first atom: 44388 Blocpdb> 321 atoms in block 162 Block first atom: 44716 Blocpdb> 318 atoms in block 163 Block first atom: 45037 Blocpdb> 308 atoms in block 164 Block first atom: 45355 Blocpdb> 133 atoms in block 165 Block first atom: 45663 Blocpdb> 101 atoms in block 166 Block first atom: 45796 Blocpdb> 292 atoms in block 167 Block first atom: 45897 Blocpdb> 323 atoms in block 168 Block first atom: 46189 Blocpdb> 278 atoms in block 169 Block first atom: 46512 Blocpdb> 337 atoms in block 170 Block first atom: 46790 Blocpdb> 314 atoms in block 171 Block first atom: 47127 Blocpdb> 328 atoms in block 172 Block first atom: 47441 Blocpdb> 321 atoms in block 173 Block first atom: 47769 Blocpdb> 318 atoms in block 174 Block first atom: 48090 Blocpdb> 308 atoms in block 175 Block first atom: 48408 Blocpdb> 133 atoms in block 176 Block first atom: 48716 Blocpdb> 101 atoms in block 177 Block first atom: 48849 Blocpdb> 292 atoms in block 178 Block first atom: 48950 Blocpdb> 323 atoms in block 179 Block first atom: 49242 Blocpdb> 278 atoms in block 180 Block first atom: 49565 Blocpdb> 337 atoms in block 181 Block first atom: 49843 Blocpdb> 314 atoms in block 182 Block first atom: 50180 Blocpdb> 328 atoms in block 183 Block first atom: 50494 Blocpdb> 321 atoms in block 184 Block first atom: 50822 Blocpdb> 318 atoms in block 185 Block first atom: 51143 Blocpdb> 308 atoms in block 186 Block first atom: 51461 Blocpdb> 133 atoms in block 187 Block first atom: 51769 Blocpdb> 101 atoms in block 188 Block first atom: 51902 Blocpdb> 292 atoms in block 189 Block first atom: 52003 Blocpdb> 323 atoms in block 190 Block first atom: 52295 Blocpdb> 278 atoms in block 191 Block first atom: 52618 Blocpdb> 337 atoms in block 192 Block first atom: 52896 Blocpdb> 314 atoms in block 193 Block first atom: 53233 Blocpdb> 328 atoms in block 194 Block first atom: 53547 Blocpdb> 321 atoms in block 195 Block first atom: 53875 Blocpdb> 318 atoms in block 196 Block first atom: 54196 Blocpdb> 308 atoms in block 197 Block first atom: 54514 Blocpdb> 133 atoms in block 198 Block first atom: 54822 Blocpdb> 101 atoms in block 199 Block first atom: 54955 Blocpdb> 292 atoms in block 200 Block first atom: 55056 Blocpdb> 323 atoms in block 201 Block first atom: 55348 Blocpdb> 278 atoms in block 202 Block first atom: 55671 Blocpdb> 337 atoms in block 203 Block first atom: 55949 Blocpdb> 314 atoms in block 204 Block first atom: 56286 Blocpdb> 328 atoms in block 205 Block first atom: 56600 Blocpdb> 321 atoms in block 206 Block first atom: 56928 Blocpdb> 318 atoms in block 207 Block first atom: 57249 Blocpdb> 308 atoms in block 208 Block first atom: 57567 Blocpdb> 133 atoms in block 209 Block first atom: 57875 Blocpdb> 101 atoms in block 210 Block first atom: 58008 Blocpdb> 292 atoms in block 211 Block first atom: 58109 Blocpdb> 323 atoms in block 212 Block first atom: 58401 Blocpdb> 278 atoms in block 213 Block first atom: 58724 Blocpdb> 337 atoms in block 214 Block first atom: 59002 Blocpdb> 314 atoms in block 215 Block first atom: 59339 Blocpdb> 328 atoms in block 216 Block first atom: 59653 Blocpdb> 321 atoms in block 217 Block first atom: 59981 Blocpdb> 318 atoms in block 218 Block first atom: 60302 Blocpdb> 308 atoms in block 219 Block first atom: 60620 Blocpdb> 133 atoms in block 220 Block first atom: 60927 Blocpdb> 220 blocks. Blocpdb> At most, 337 atoms in each of them. Blocpdb> At least, 101 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. %Diagrtb-Er> IRWKMX up to: 186217102 Maximum allowed is LRWORK= 32000000 %Diagrtb-Er> Not enough memory allowed for working arrays. Sorry. Lower the number of blocks, the sizes of the largest ones... Or recompile DIAGRTB with larger WORKing arrays. STDERR: STOP *Working arrays allocation error* real 0m0.283s user 0m0.256s sys 0m0.000s




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Last modification: October 18th, 2018.