[gmx-users] equilibration

[s lal badshah]

Dear experts,
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?
please guide me
grompp -f eq.mdp -c em.pdb -p topol.top -o eq.tpr
nohup mdrun -s eq.tpr -o eq.trr-c eq_b4md.gro -g eq.log -e eq.edr &
[2] 17896
ahmad at uop:~/protein> nohup: ignoring input and appending output to `nohup.out'
tail -15 eq.log
   old box[    2]={ 0.00000e+00,  1.66880e+18, -1.85423e+17}
new box (3x3):
   new box[    0]={-1.85423e+17,  0.00000e+00,  0.00000e+00}
   new box[    1]={ 0.00000e+00, -1.85423e+17,  0.00000e+00}
   new box[    2]={ 0.00000e+00,  1.85423e+18, -1.85423e+17}
-------------------------------------------------------
Program mdrun, VERSION 3.3.1
Source code file: ns.c, line: 265

Fatal error:
Box was shifted at least 10 times. Please see log-file.
-------------------------------------------------------

"BioBeat is Not Available In Regular Shops" (P.J. Meulenhoff)

[2]-  Exit 255                nohup mdrun -s eq.tpr -o eq.trr-c eq_b4md.gro -g eq.log -e eq.edr
ahmad at uop:~/protein> kill
kill: usage: kill [-s sigspec | -n signum | -sigspec] pid | jobspec ... or kill -l [sigspec]
ahmad at uop:~/protein> tail -15 eq.log
   old box[    2]={ 0.00000e+00,  1.66880e+18, -1.85423e+17}
new box (3x3):
   new box[    0]={-1.85423e+17,  0.00000e+00,  0.00000e+00}
   new box[    1]={ 0.00000e+00, -1.85423e+17,  0.00000e+00}
   new box[    2]={ 0.00000e+00,  1.85423e+18, -1.85423e+17}
-------------------------------------------------------
Program mdrun, VERSION 3.3.1
Source code file: ns.c, line: 265

Fatal error:
Box was shifted at least 10 times. Please see log-file.
-------------------------------------------------------

regards,
Lalbadshah

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