[gmx-users] Variable ci problem!

[Samuel Silva Pita]

Dear GMXers,
I had built my molecular topology "by hand" an when I was minimisate the energy of my system gromacs 3.3.1 give this error message:

"Steepest Descents:
   Tolerance (Fmax)   =  1.00000e+01
   Number of steps    =        10000
Step=    0, Dmax= 1.0e-02 nm, Epot= -6.12087e+04 Fmax= 1.82761e+04, atom= 6018
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Program mdrun_331, VERSION 3.3.1
Source code file: nsgrid.c, line: 226

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.

Variable ci has value -2147483648. It should have been within [ 0 .. 384 ]
Please report this to the mailing list (gmx-users at gromacs.org)
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 I saw at ancient mailing lists  and I am not using more than one processors -like the persons who asked before about this theme!- and I wonder if it is a bug of grompp-331, is not? 
 Another important point is I had tried to include in genbox the option -ci "my molecule".gro and -cp "box_data_from_editconf".gro and the error remains.
 The problem persists and I not know how I can solve this. Can anyone helps me about this problem? 
Sincerely,
Samuel Pita.

"Do not wear yourself out to get rich;do not trust your own cleverness.  Cast but a glance at riches, and they are gone, for they will surely sprout wings and fly off to the sky like an eagle."(Proverbs23:4-5)
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