<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Hi gmx-users,<BR><DIV><BR class="khtml-block-placeholder"></DIV><DIV><B>System Setup:</B></DIV><DIV>My System consists of a one helix of a transmembrane protein + 58 SDS molecules + water + ions. (added in that order)</DIV><DIV>I energy minimized the system (using l-bfgs algorithm) after addition of each set of molecules to the box, starting from just the protein in the box. The potential energy was minimized well (to a negative value) and the Fmax on the atoms was < 50 as stated in the em.mdp file. </DIV><DIV>Next I equilibrated the system for 1 ns by doing a position restrained MD (protein restrained), to relax the SDS molecules around the protein (NVT equilibration) using berendsen thermostat.</DIV><DIV>Later NPT md simulation was started by linearly heating the system thus obtained from NVT equilibration from 0 K to 300 K in 50 ps. the rest of the 10 ns the temperature was kept at 300 K using nose-hoover thermostat. Pressure coupling using parrinello-rahman. </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><B>Problem:</B></DIV><DIV>So here is the problem... after 500 ps, a SDS molecule rips apart and the simulation crashes with LINCS error. Quite surprisingly, there was only one SDS molecule showing such instability... all other molecules are intact. any inputs on how to correct the problem... for now I just deleted the SDS molecule, equilibrated the system for 200 ps and rerun the MD simulation... I have a bad feeling it will crash again.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><B>Parameters:</B></DIV><DIV>I generated the SDS topology using PRODRG2 BETA server.. since I wanted GROMOS96 parameters. Here is how the SDS top file looks like.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>~~~~~~~~~~~~~~~~~~~~</DIV><DIV>[ moleculetype ]</DIV><DIV>; Name nrexcl</DIV><DIV>SDS 3</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ atoms ]</DIV><DIV>; nr type resnr resid atom cgnr charge mass</DIV><DIV> 1 OA 1 SDS OAD 1 -0.726 15.9994 </DIV><DIV> 2 SDMSO 1 SDS SAQ 1 2.226 32.0600 </DIV><DIV> 3 OM 1 SDS OAB 1 -1.179 15.9994 </DIV><DIV> 4 OM 1 SDS OAC 1 -1.179 15.9994 </DIV><DIV> 5 OA 1 SDS OAP 1 -0.207 15.9994 </DIV><DIV> 6 CH2 1 SDS CAO 1 0.033 14.0270 </DIV><DIV> 7 CH2 1 SDS CAN 1 0.032 14.0270 </DIV><DIV> 8 CH2 1 SDS CAM 2 0.000 14.0270 </DIV><DIV> 9 CH2 1 SDS CAL 2 0.000 14.0270 </DIV><DIV> 10 CH2 1 SDS CAK 2 0.000 14.0270 </DIV><DIV> 11 CH2 1 SDS CAJ 2 0.000 14.0270 </DIV><DIV> 12 CH2 1 SDS CAI 3 0.007 14.0270 </DIV><DIV> 13 CH2 1 SDS CAH 3 0.006 14.0270 </DIV><DIV> 14 CH2 1 SDS CAG 3 0.008 14.0270 </DIV><DIV> 15 CH2 1 SDS CAF 3 0.007 14.0270 </DIV><DIV> 16 CH2 1 SDS CAE 3 0.007 14.0270 </DIV><DIV> 17 CH3 1 SDS CAA 3 -0.035 15.0350 </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ bonds ]</DIV><DIV>; ai aj fu c0, c1, ...</DIV><DIV> 1 2 2 0.144 6100000.0 0.144 6100000.0 ; OAD SAQ </DIV><DIV> 2 3 2 0.153 8040000.0 0.153 8040000.0 ; SAQ OAB </DIV><DIV> 2 4 2 0.153 8040000.0 0.153 8040000.0 ; SAQ OAC </DIV><DIV> 2 5 2 0.144 6100000.0 0.144 6100000.0 ; SAQ OAP </DIV><DIV> 5 6 2 0.143 8180000.0 0.143 8180000.0 ; OAP CAO </DIV><DIV> 6 7 2 0.153 7150000.0 0.153 7150000.0 ; CAO CAN </DIV><DIV> 7 8 2 0.153 7150000.0 0.153 7150000.0 ; CAN CAM </DIV><DIV> 8 9 2 0.153 7150000.0 0.153 7150000.0 ; CAM CAL </DIV><DIV> 9 10 2 0.153 7150000.0 0.153 7150000.0 ; CAL CAK </DIV><DIV> 10 11 2 0.153 7150000.0 0.153 7150000.0 ; CAK CAJ </DIV><DIV> 11 12 2 0.153 7150000.0 0.153 7150000.0 ; CAJ CAI </DIV><DIV> 12 13 2 0.153 7150000.0 0.153 7150000.0 ; CAI CAH </DIV><DIV> 13 14 2 0.153 7150000.0 0.153 7150000.0 ; CAH CAG </DIV><DIV> 14 15 2 0.153 7150000.0 0.153 7150000.0 ; CAG CAF </DIV><DIV> 15 16 2 0.153 7150000.0 0.153 7150000.0 ; CAF CAE </DIV><DIV> 16 17 2 0.153 7150000.0 0.153 7150000.0 ; CAE CAA </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ pairs ]</DIV><DIV>; ai aj fu c0, c1, ...</DIV><DIV> 1 6 1 ; OAD CAO </DIV><DIV> 2 7 1 ; SAQ CAN </DIV><DIV> 3 6 1 ; OAB CAO </DIV><DIV> 4 6 1 ; OAC CAO </DIV><DIV> 5 8 1 ; OAP CAM </DIV><DIV> 6 9 1 ; CAO CAL </DIV><DIV> 7 10 1 ; CAN CAK </DIV><DIV> 8 11 1 ; CAM CAJ </DIV><DIV> 9 12 1 ; CAL CAI </DIV><DIV> 10 13 1 ; CAK CAH </DIV><DIV> 11 14 1 ; CAJ CAG </DIV><DIV> 12 15 1 ; CAI CAF </DIV><DIV> 13 16 1 ; CAH CAE </DIV><DIV> 14 17 1 ; CAG CAA </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ angles ]</DIV><DIV>; ai aj ak fu c0, c1, ...</DIV><DIV> 1 2 3 2 109.5 518.0 109.5 518.0 ; OAD SAQ OAB </DIV><DIV> 1 2 4 2 109.5 518.0 109.5 518.0 ; OAD SAQ OAC </DIV><DIV> 1 2 5 2 109.5 518.0 109.5 518.0 ; OAD SAQ OAP </DIV><DIV> 3 2 4 2 109.5 518.0 109.5 518.0 ; OAB SAQ OAC </DIV><DIV> 3 2 5 2 109.5 518.0 109.5 518.0 ; OAB SAQ OAP </DIV><DIV> 4 2 5 2 109.5 518.0 109.5 518.0 ; OAC SAQ OAP </DIV><DIV> 2 5 6 2 120.0 530.0 120.0 530.0 ; SAQ OAP CAO </DIV><DIV> 5 6 7 2 109.5 520.0 109.5 520.0 ; OAP CAO CAN </DIV><DIV> 6 7 8 2 109.5 520.0 109.5 520.0 ; CAO CAN CAM </DIV><DIV> 7 8 9 2 109.5 520.0 109.5 520.0 ; CAN CAM CAL </DIV><DIV> 8 9 10 2 109.5 520.0 109.5 520.0 ; CAM CAL CAK </DIV><DIV> 9 10 11 2 109.5 520.0 109.5 520.0 ; CAL CAK CAJ </DIV><DIV> 10 11 12 2 109.5 520.0 109.5 520.0 ; CAK CAJ CAI </DIV><DIV> 11 12 13 2 109.5 520.0 109.5 520.0 ; CAJ CAI CAH </DIV><DIV> 12 13 14 2 109.5 520.0 109.5 520.0 ; CAI CAH CAG </DIV><DIV> 13 14 15 2 109.5 520.0 109.5 520.0 ; CAH CAG CAF </DIV><DIV> 14 15 16 2 109.5 520.0 109.5 520.0 ; CAG CAF CAE </DIV><DIV> 15 16 17 2 109.5 520.0 109.5 520.0 ; CAF CAE CAA </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ dihedrals ]</DIV><DIV>; ai aj ak al fu c0, c1, m, ...</DIV><DIV> 2 1 3 4 2 35.3 334.8 35.3 334.8 ; imp SAQ OAD OAB OAC </DIV><DIV> 1 2 5 6 1 0.0 1.3 3 0.0 1.3 3 ; dih OAD SAQ OAP CAO </DIV><DIV> 7 6 5 2 1 0.0 1.3 3 0.0 1.3 3 ; dih CAN CAO OAP SAQ </DIV><DIV> 8 7 6 5 1 0.0 5.9 3 0.0 5.9 3 ; dih CAM CAN CAO OAP </DIV><DIV> 9 8 7 6 1 0.0 5.9 3 0.0 5.9 3 ; dih CAL CAM CAN CAO </DIV><DIV> 10 9 8 7 1 0.0 5.9 3 0.0 5.9 3 ; dih CAK CAL CAM CAN </DIV><DIV> 11 10 9 8 1 0.0 5.9 3 0.0 5.9 3 ; dih CAJ CAK CAL CAM </DIV><DIV> 12 11 10 9 1 0.0 5.9 3 0.0 5.9 3 ; dih CAI CAJ CAK CAL </DIV><DIV> 13 12 11 10 1 0.0 5.9 3 0.0 5.9 3 ; dih CAH CAI CAJ CAK </DIV><DIV> 14 13 12 11 1 0.0 5.9 3 0.0 5.9 3 ; dih CAG CAH CAI CAJ </DIV><DIV> 15 14 13 12 1 0.0 5.9 3 0.0 5.9 3 ; dih CAF CAG CAH CAI </DIV><DIV> 16 15 14 13 1 0.0 5.9 3 0.0 5.9 3 ; dih CAE CAF CAG CAH </DIV><DIV> 17 16 15 14 1 0.0 5.9 3 0.0 5.9 3 ; dih CAA CAE CAF CAG </DIV><DIV>~~~~~~~~~~~~~~~~~~~~</DIV><DIV>and here are my relevant MD mdp parameters.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>####################</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>integrator <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= md</DIV><DIV>tinit <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0</DIV><DIV>dt <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0.002</DIV><DIV>nsteps <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 5000000</DIV><DIV>init_step <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0</DIV><DIV>nstlist <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN> <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 5</DIV><DIV>ns-type <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN> <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= grid</DIV><DIV>pbc <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= xyz</DIV><DIV>rlist <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0.9</DIV><DIV>domain-decomposition = no</DIV><DIV>coulombtype = pme</DIV><DIV>rcoulomb <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0.9</DIV><DIV>epsilon-r <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 1</DIV><DIV>vdw-type <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= Cut-off</DIV><DIV>rvdw-switch = 0</DIV><DIV>rvdw <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 1.4</DIV><DIV>DispCorr = No</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>table-extension = 1</DIV><DIV>fourierspacing = 0.12</DIV><DIV>fourier_nx = 0</DIV><DIV>fourier_ny = 0</DIV><DIV>fourier_nz = 0</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>; EWALD/PME/PPPM parameters</DIV><DIV>pme_order = 4</DIV><DIV>ewald_rtol <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 1e-05</DIV><DIV>ewald_geometry = 3d</DIV><DIV>epsilon_surface = 0</DIV><DIV>optimize_fft <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= yes</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>; OPTIONS FOR WEAK COUPLING ALGORITHMS</DIV><DIV>tcoupl <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= nose-hoover</DIV><DIV>tc-grps <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= Protein SDS SOL Na+ Cl-</DIV><DIV>tau-t <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0.5 0.5 0.5 0.5 0.5</DIV><DIV>ref-t <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 300 300 300 300 300</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Pcoupl <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= Parrinello-Rahman</DIV><DIV>Pcoupltype = Isotropic</DIV><DIV>tau-p <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 5</DIV><DIV>compressibility = 4.5e-5</DIV><DIV>ref-p <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 1</DIV><DIV>andersen_seed = 815131</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>; SIMULATED ANNEALING</DIV><DIV>; Type of annealing for each temperature group (no/single/periodic)</DIV><DIV>annealing = single single single single single</DIV><DIV>; Number of time points to use for specifying annealing in each group</DIV><DIV>annealing_npoints = 2 2 2 2 2</DIV><DIV>; List of times at the annealing points for each group</DIV><DIV>annealing_time = 0 20 0 20 0 20 0 20 0 20</DIV><DIV>; Temp. at each annealing point, for each group.</DIV><DIV>annealing_temp = 0 300 0 300 0 300 0 300 0 300</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>; GENERATE VELOCITIES FOR STARTUP RUN</DIV><DIV>gen-vel <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= yes</DIV><DIV>gen-temp <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 0</DIV><DIV>gen-seed <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 3529</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>; OPTIONS FOR BONDS</DIV><DIV>constraints <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= all-bonds</DIV><DIV>constraint-algorithm <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= Lincs</DIV><DIV>unconstrained-start <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= no</DIV><DIV>lincs-order <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 4</DIV><DIV>lincs-iter <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 1</DIV><DIV>lincs-warnangle <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= 30</DIV><DIV>morse <SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>= no</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>####################</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Here is the ERROR.... </DIV><DIV>$$$$$$$$$$$$$$$$$$$$$$$$$$$</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Step 257327, time 514.654 (ps) LINCS WARNING</DIV><DIV>relative constraint deviation after LINCS:</DIV><DIV>max 25.765928 (between atoms 920 and 921) rms 1.109525</DIV><DIV>bonds that rotated more than 30 degrees:</DIV><DIV> atom 1 atom 2 angle previous, current, constraint length</DIV><DIV> 920 921 92.7 0.1507 3.8543 0.1440</DIV><DIV> 921 922 119.1 0.1556 0.3664 0.1530</DIV><DIV> 921 923 78.8 0.1442 0.1825 0.1530</DIV><DIV> 921 924 100.1 0.1613 1.1378 0.1440</DIV><DIV> 924 925 92.9 0.1390 3.1287 0.1430</DIV><DIV> 925 926 92.6 0.1870 3.1463 0.1530</DIV><DIV> 926 927 157.8 0.1521 0.1948 0.1530</DIV><DIV> 927 928 128.2 0.1545 0.2347 0.1530</DIV><DIV> 928 929 63.1 0.1529 0.1001 0.1530</DIV><DIV>Constraint error in algorithm Lincs at step 257327</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Step 257328, time 514.656 (ps) LINCS WARNING</DIV><DIV>relative constraint deviation after LINCS:</DIV><DIV>max 390842875904.000000 (between atoms 924 and 925) rms 20729815040.000000</DIV><DIV>bonds that rotated more than 30 degrees:</DIV><DIV> atom 1 atom 2 angle previous, current, constraint length</DIV><DIV> 699 700 118.2 0.1440 0.3004 0.1440</DIV><DIV> 700 701 99.2 0.1530 0.9467 0.1530</DIV><DIV> 700 702 62.8 0.1530 0.1665 0.1530</DIV><DIV> 700 703 77.7 0.1440 0.1298 0.1440</DIV><DIV> 703 704 31.6 0.1430 0.1368 0.1430</DIV><DIV> 716 717 90.5 0.1440 34.8807 0.1440</DIV><DIV> 717 718 90.1 0.1530 147.2678 0.1530</DIV><DIV> 717 719 90.1 0.1530 110.9749 0.1530</DIV><DIV> 717 720 90.9 0.1440 36.1724 0.1440</DIV><DIV> 720 721 91.5 0.1430 10.8505 0.1430</DIV><DIV> 721 722 97.2 0.1530 2.9375 0.1530</DIV><DIV> 722 723 145.7 0.1530 0.2025 0.1530</DIV><DIV> 723 724 42.0 0.1530 0.1993 0.1530</DIV><DIV> 886 887 57.6 0.1440 0.1784 0.1440</DIV><DIV> 887 888 67.3 0.1530 0.2050 0.1530</DIV><DIV> 887 889 63.1 0.1530 0.1974 0.1530</DIV><DIV> 887 890 100.5 0.1440 0.8066 0.1440</DIV><DIV> 890 891 100.0 0.1430 0.7412 0.1430</DIV><DIV> 891 892 155.6 0.1530 0.1709 0.1530</DIV><DIV> 892 893 42.1 0.1530 0.2004 0.1530</DIV><DIV> 903 904 90.9 0.1440 15469.8779 0.1440</DIV><DIV> 904 905 90.1 0.1530 51128.5117 0.1530</DIV><DIV> 904 906 90.2 0.1530 46422.8555 0.1530</DIV><DIV> 904 907 90.1 0.1440 134111.4688 0.1440</DIV><DIV> 907 908 90.1 0.1430 168917.5156 0.1430</DIV><DIV> 908 909 90.3 0.1530 16148.1357 0.1530</DIV><DIV> 909 910 93.8 0.1530 687.8440 0.1530</DIV><DIV> 910 911 93.1 0.1530 101.2424 0.1530</DIV><DIV> 911 912 108.5 0.1530 14.7890 0.1530</DIV><DIV> 913 914 130.7 0.1530 0.6334 0.1530</DIV><DIV> 914 915 59.3 0.1530 0.2331 0.1530</DIV><DIV> 920 921 124.5 3.8543 590567680.0000 0.1440</DIV><DIV> 921 922 115.9 0.3664 507195392.0000 0.1530</DIV><DIV> 921 923 127.3 0.1825 597398592.0000 0.1530</DIV><DIV> 921 924 89.6 1.1378 54504730624.0000 0.1440</DIV><DIV> 924 925 94.0 3.1287 55890534400.0000 0.1430</DIV><DIV> 925 926 94.6 3.1463 52505100288.0000 0.1530</DIV><DIV> 926 927 91.7 0.1948 53183660032.0000 0.1530</DIV><DIV> 927 928 50.6 0.2347 1845543040.0000 0.1530</DIV><DIV> 928 929 58.1 0.1001 2104577408.0000 0.1530</DIV><DIV> 929 930 162.9 0.1506 350578240.0000 0.1530</DIV><DIV> 930 931 31.0 0.1543 339091040.0000 0.1530</DIV><DIV> 931 932 86.4 0.1530 0.3569 0.1530</DIV><DIV> 932 933 44.6 0.1531 0.2167 0.1530</DIV><DIV> 1117 1118 65.7 0.1530 0.2308 0.1530</DIV><DIV> 1118 1119 106.3 0.1530 0.5409 0.1530</DIV><DIV> 1119 1120 104.2 0.1530 0.6235 0.1530</DIV><DIV> 1120 1121 98.6 0.1530 1.0182 0.1530</DIV><DIV> 1121 1122 95.9 0.1530 1.4904 0.1530</DIV><DIV> 1122 1123 95.0 0.1530 1.7516 0.1530</DIV><DIV> 1124 1125 107.3 0.1440 0.4820 0.1440</DIV><DIV> 1125 1126 107.7 0.1530 0.5021 0.1530</DIV><DIV> 1125 1127 107.1 0.1530 0.5176 0.1530</DIV><DIV> 1125 1128 104.5 0.1440 0.5717 0.1440</DIV><DIV> 1128 1129 78.4 0.1430 0.2178 0.1430</DIV><DIV> 1129 1130 63.6 0.1530 0.1758 0.1530</DIV><DIV> 1130 1131 53.0 0.1530 0.1784 0.1530</DIV><DIV> 1131 1132 40.3 0.1530 0.1644 0.1530</DIV><DIV>Constraint error in algorithm Lincs at step 257328</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>t = 514.656 ps: Water molecule starting at atom 18916 can not be settled.</DIV><DIV>Check for bad contacts and/or reduce the timestep.Wrote pdb files with previous and current coordinates</DIV><DIV>Large VCM(group rest): 24544858112.00000, -56862011392.00000, 610747392.00000, ekin-cm: 2.45315e+26</DIV><DIV>Group rest with mass 1.27898e+05, Ekrot 1.46688e+15 Det(I) = nan</DIV><DIV> COM: 49089732.00000 -113724048.00000 1221496.62500</DIV><DIV> P: 3139232935706624.00000 -7272524777783296.00000 78113232912384.00000</DIV><DIV> V: 24544858112.00000 -56862011392.00000 610747392.00000</DIV><DIV> J: -162155133050814464.00000 83557368560651075584.00000 -184521431156065828864.00000</DIV><DIV> w: -0.00001 0.00002 -0.00001</DIV><DIV>Inertia tensor (3x3):</DIV><DIV> Inertia tensor[ 0]={ 1.59138e+25, -2.53183e+25, 6.93924e+24}</DIV><DIV> Inertia tensor[ 1]={-2.53183e+25, 4.38301e+25, -1.26821e+25}</DIV><DIV> Inertia tensor[ 2]={ 6.93924e+24, -1.26821e+25, 8.36827e+24}</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>$$$$$$$$$$$$$$$$$$$$$$$$$$</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Regards,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Venky.</DIV><DIV><BR class="khtml-block-placeholder"></DIV></BODY></HTML>