Dear experts,<br>Hi,I am doing equilibration ,it crashes a few times due to power breakdown.Now I started again witj the following commands and the following output comes.what should i do?<br>please guide me<br><span style="background-color: rgb(255, 255, 0);">grompp -f eq.mdp -c em.pdb -p topol.top -o eq.tpr</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">nohup mdrun -s eq.tpr -o eq.trr-c eq_b4md.gro -g eq.log -e eq.edr &</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">[2] 17896</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">ahmad@uop:~/protein> nohup: ignoring input and appending output to `nohup.out'</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">tail -15 eq.log</span><br style="background-color: rgb(255, 255, 0);"><span
style="background-color: rgb(255, 255, 0);"> old box[ 2]={ 0.00000e+00, 1.66880e+18, -1.85423e+17}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">new box (3x3):</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 0]={-1.85423e+17, 0.00000e+00, 0.00000e+00}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 1]={ 0.00000e+00, -1.85423e+17, 0.00000e+00}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 2]={ 0.00000e+00, 1.85423e+18, -1.85423e+17}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255,
0);">-------------------------------------------------------</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Program mdrun, VERSION 3.3.1</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Source code file: ns.c, line: 265</span><br style="background-color: rgb(255, 255, 0);"><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Fatal error:</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Box was shifted at least 10 times. Please see log-file.</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">-------------------------------------------------------</span><br style="background-color: rgb(255, 255, 0);"><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">"BioBeat is Not
Available In Regular Shops" (P.J. Meulenhoff)</span><br style="background-color: rgb(255, 255, 0);"><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">[2]- Exit 255 nohup mdrun -s eq.tpr -o eq.trr-c eq_b4md.gro -g eq.log -e eq.edr</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">ahmad@uop:~/protein> kill</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">kill: usage: kill [-s sigspec | -n signum | -sigspec] pid | jobspec ... or kill -l [sigspec]</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">ahmad@uop:~/protein> tail -15 eq.log</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> old
box[ 2]={ 0.00000e+00, 1.66880e+18, -1.85423e+17}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">new box (3x3):</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 0]={-1.85423e+17, 0.00000e+00, 0.00000e+00}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 1]={ 0.00000e+00, -1.85423e+17, 0.00000e+00}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);"> new box[ 2]={ 0.00000e+00, 1.85423e+18, -1.85423e+17}</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">-------------------------------------------------------</span><br style="background-color: rgb(255,
255, 0);"><span style="background-color: rgb(255, 255, 0);">Program mdrun, VERSION 3.3.1</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Source code file: ns.c, line: 265</span><br style="background-color: rgb(255, 255, 0);"><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Fatal error:</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Box was shifted at least 10 times. Please see log-file.</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">-------------------------------------------------------</span><br><br>regards,<br>Lalbadshah<br><p> Send instant messages to your online friends http://uk.messenger.yahoo.com