[gmx-users] (no subject)
Xavier Periole
x.periole at chem.rug.nl
Mon Nov 8 18:35:06 CET 2004
SLN Prasad Reddy wrote:
>
> Hello gromacs users,
> After running grompp command for geting pr.tpr file. I did run mdrun ( Position Restraint) then gromacs showing following error
>
>Fatal error: ci = -2147483648 should be in 0 .. 2743 [FILE nsgrid.c, LINE 210]
>
> I could not understand the above message. Kidly help me to overcome this problem.Many thanks in advance
>
>Thanking you
>
>prasad.
>
>
As it has been mentioned many times in the email list, this message appears
when your system explodes. The main reason for this is that there
are strong forces appearing in your system.
you can rerun the trajectory starting from some picoseconds before the
crash
and if your are lucky the trajectory will take a slightly different
route and
this will not happen.
XAvier
--
----------------------------------------------
Xavier Periole - Ph.D.
Dept. of Biophysical Chemistry / MD Group
Univ. of Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands
Tel: +31-503634329
Fax: +31-503634800
email: x.periole at chem.rug.nl
web-page: http://md.chem.rug.nl/~periole
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