[gmx-users] (no subject)

[Tsjerk Wassenaar]

Please do give your post a descriptive title...

You likely have a serious problem with your topology or with your
simulation cell. Can't tell without more information. Did grompp give
any warnings? Double check your input.

Cheers,

Tsjerk

On Feb 7, 2008 9:44 AM, mahendra awale <mahendra123awale at gmail.com> wrote:
> hi
>
> i am doing I am doing a steepest descent for the initial mdrun for a peptide
> and it
>  gives me the following error.
>
> following step i have done
> nohup mdrun -deffnm pr &
>
>
> 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 .. 4913 ]
>
> Please report this to the mailing list (gmx-users at gromacs.org)
> Please advice.
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623